Table 1: The narcotic activity in term minimum concentration required for narcosis of different compounds and their molecular descriptors along with log Poct value*.
Sl.No |
Compound |
log (1/Cnar) |
R2 |
Vx |
log Poct |
|||
1 |
Pentane |
2.55 |
0.00 |
0.00 |
0.00 |
0.00 |
0.81 |
3.39 |
2 |
2-Methylbut-2-ene |
2.64 |
0.16 |
0.08 |
0.00 |
0.07 |
0.77 |
2.67 |
3 |
Trichloromethane |
2.85 |
0.43 |
0.49 |
0.15 |
0.02 |
0.62 |
1.97 |
4 |
Tetrachloromethane |
3.14 |
0.46 |
0.38 |
0.00 |
0.00 |
0.74 |
2.83 |
5 |
Chloroethane |
2.35 |
0.23 |
0.40 |
0.00 |
0.10 |
0.51 |
1.43 |
6 |
1,2-Dichloroethane |
2.63 |
0.42 |
0.64 |
0.10 |
0.11 |
0.64 |
1.48 |
7 |
Bromoethane |
2.57 |
0.37 |
0.40 |
0.00 |
0.12 |
0.57 |
1.61 |
8 |
Iodoethane |
2.96 |
0.64 |
0.40 |
0.00 |
0.15 |
0.65 |
2.00 |
9 |
Diethylether |
1.47 |
0.04 |
0.25 |
0.00 |
0.45 |
0.73 |
0.89 |
10 |
Propanone |
0.54 |
0.18 |
0.70 |
0.04 |
0.49 |
0.55 |
-0.24 |
11 |
Butanone |
1.04 |
0.17 |
0.70 |
0.00 |
0.51 |
0.69 |
0.29 |
12 |
Pentan-2-one |
1.72 |
0.14 |
0.68 |
0.00 |
0.51 |
0.83 |
0.84 |
13 |
Pentan-3-one |
1.54 |
0.15 |
0.66 |
0.00 |
0.51 |
0.83 |
0.82 |
14 |
Camphor |
2.88 |
0.45 |
0.85 |
0.00 |
0.56 |
1.32 |
2.53 |
15 |
Ethylformate |
1.16 |
0.15 |
0.66 |
0.00 |
0.38 |
0.61 |
0.27 |
16 |
Methylacetate |
1.10 |
0.14 |
0.64 |
0.00 |
0.45 |
0.61 |
0.18 |
17 |
Ethylacetate |
1.52 |
0.11 |
0.62 |
0.00 |
0.45 |
0.75 |
0.73 |
18 |
Propylacetate |
1.96 |
0.09 |
0.60 |
0.00 |
0.45 |
0.89 |
1.24 |
19 |
Butylacetate |
2.30 |
0.07 |
0.60 |
0.00 |
0.45 |
1.03 |
1.82 |
20 |
Isobutylacetate |
2.24 |
0.05 |
0.57 |
0.00 |
0.47 |
1.03 |
1.60 |
21 |
Pentylacetate |
2.72 |
0.07 |
0.60 |
0.00 |
0.45 |
1.17 |
2.01 |
22 |
Ethylpropanoate |
1.96 |
0.09 |
0.58 |
0.00 |
0.45 |
0.89 |
1.21 |
23 |
Ethylbutanoate |
2.37 |
0.07 |
0.58 |
0.00 |
0.45 |
1.03 |
1.73 |
24 |
Ethylpentanoate |
2.72 |
0.05 |
0.58 |
0.00 |
0.45 |
1.17 |
2.26 |
25 |
Butylpentanoate |
3.60 |
0.03 |
0.56 |
0.00 |
0.45 |
1.45 |
3.32 |
26 |
Ethylisobutanoate |
2.24 |
0.03 |
0.55 |
0.00 |
0.47 |
1.03 |
1.51 |
27 |
Triacetin |
1.64 |
0.14 |
1.30 |
0.00 |
0.35 |
1.60 |
0.25 |
28 |
Acetonitrile |
0.44 |
0.24 |
0.90 |
0.07 |
0.32 |
0.40 |
-0.34 |
29 |
Nitromethane |
1.09 |
0.31 |
0.95 |
0.06 |
0.31 |
0.42 |
-0.33 |
30 |
Pentanamide |
1.30 |
0.40 |
1.30 |
0.50 |
0.62 |
0.93 |
0.35 |
31 |
N-Ethylurethane |
1.40 |
0.24 |
0.82 |
0.24 |
0.61 |
0.99 |
1.02 |
32 |
Methanol |
0.24 |
0.28 |
0.44 |
0.43 |
0.47 |
0.31 |
-0.74 |
33 |
Ethanol |
0.54 |
0.25 |
0.42 |
0.37 |
0.48 |
0.45 |
-0.30 |
34 |
Propan-1-ol |
0.96 |
0.24 |
0.42 |
0.37 |
0.48 |
0.59 |
0.25 |
35 |
Propan-2-ol |
0.89 |
0.21 |
0.36 |
0.33 |
0.56 |
0.59 |
0.05 |
36 |
Butan-1-ol |
1.42 |
0.22 |
0.42 |
0.37 |
0.48 |
0.73 |
0.84 |
37 |
2-Methylprpan-1-ol |
1.35 |
0.22 |
0.39 |
0.37 |
0.48 |
0.73 |
0.76 |
38 |
2-Methylpropan-2-ol |
0.89 |
0.18 |
0.30 |
0.31 |
0.60 |
0.73 |
0.35 |
39 |
3-Methylbutan-1-ol |
1.64 |
0.19 |
0.39 |
0.37 |
0.48 |
0.87 |
1.28 |
40 |
2-Methylbutan-2-ol |
1.20 |
0.19 |
0.30 |
0.31 |
0.60 |
0.87 |
0.89 |
41 |
Octan-1-ol |
3.40 |
0.20 |
0.42 |
0.37 |
0.48 |
1.30 |
3.07 |
42 |
Menthol |
3.97 |
0.40 |
0.48 |
0.32 |
0.61 |
1.47 |
3.31 |
43 |
Ethane-1,2-diol |
0.19 |
0.40 |
0.90 |
0.58 |
0.78 |
0.51 |
-1.36 |
44 |
Ethanethiol |
2.09 |
0.39 |
0.35 |
0.00 |
0.24 |
0.55 |
1.18 |
45 |
Carbondisulphide |
3.28 |
0.88 |
0.26 |
0.00 |
0.03 |
0.49 |
1.94 |
46 |
Triethylphosphate |
1.96 |
0.00 |
1.00 |
0.00 |
1.06 |
1.39 |
0.80 |
47 |
Benzene |
2.68 |
0.61 |
0.52 |
0.00 |
0.14 |
0.72 |
2.13 |
48 |
m-Xylene |
3.42 |
0.62 |
0.52 |
0.00 |
0.16 |
1.00 |
3.20 |
49 |
Naphthalene |
4.19 |
1.34 |
0.92 |
0.00 |
0.20 |
1.09 |
3.30 |
50 |
Phenanthrene |
5.25 |
2.06 |
1.29 |
0.00 |
0.26 |
1.45 |
4.46 |
51 |
Methylphenylether |
2.82 |
0.71 |
0.75 |
0.00 |
0.29 |
0.92 |
2.11 |
52 |
1,3-Dimethoxybenzene |
3.35 |
0.82 |
1.01 |
0.00 |
0.45 |
1.12 |
2.21 |
53 |
1,4-Dimetoxybenzene |
3.05 |
0.81 |
1.00 |
0.00 |
0.50 |
1.12 |
2.03 |
54 |
Acetophenone |
3.04 |
0.82 |
1.01 |
0.00 |
0.48 |
1.01 |
1.63 |
55 |
Aniline |
1.96 |
0.96 |
0.96 |
0.26 |
0.50 |
0.82 |
0.90 |
56 |
N, N-dimethyl aniline |
2.85 |
0.96 |
0.84 |
0.00 |
0.47 |
1.10 |
2.31 |
57 |
Diphenylamine |
4.43 |
0.70 |
0.88 |
0.60 |
0.38 |
1.42 |
3.50 |
58 |
Azobenzene |
4.74 |
0.68 |
1.20 |
0.00 |
0.44 |
1.48 |
3.82 |
59 |
Acetanilide |
2.31 |
0.87 |
1.40 |
0.50 |
0.67 |
1.11 |
1.16 |
60 |
p-methoxyacetanilide |
2.09 |
0.97 |
1.63 |
0.48 |
0.86 |
1.31 |
1.05 |
61 |
p-ethoxyacetanilide |
2.55 |
0.94 |
1.60 |
0.48 |
0.84 |
1.45 |
1.58 |
62 |
Phenol |
2.28 |
0.81 |
0.89 |
0.60 |
0.30 |
0.78 |
1.50 |
63 |
o-Cresol |
2.92 |
0.84 |
0.86 |
0.52 |
0.30 |
0.92 |
1.98 |
64 |
m-Cresol |
2.75 |
0.82 |
0.88 |
0.57 |
0.34 |
0.92 |
1.98 |
65 |
p-Cresol |
2.75 |
0.82 |
0.87 |
0.57 |
0.31 |
0.92 |
1.97 |
66 |
2-Isopropylphenol |
4.26 |
0.82 |
0.79 |
0.52 |
0.44 |
1.34 |
3.30 |
67 |
4-tert-Pentylphenol |
4.52 |
0.81 |
0.89 |
0.56 |
0.41 |
1.48 |
3.83 |
68 |
2-Methoxyphenol |
2.57 |
0.84 |
0.91 |
0.22 |
0.52 |
0.97 |
1.32 |
69 |
Catechol |
2.12 |
0.97 |
1.07 |
0.85 |
0.52 |
0.83 |
0.88 |
70 |
Resorcinol |
1.64 |
0.98 |
1.00 |
1.10 |
0.58 |
0.83 |
0.80 |
71 |
Hydroquinone |
2.12 |
1.00 |
1.00 |
1.16 |
0.60 |
0.83 |
0.59 |
72 |
Vanilin |
2.48 |
1.04 |
1.04 |
0.32 |
0.67 |
1.13 |
1.21 |
73 |
Eugenol |
3.91 |
0.95 |
0.99 |
0.22 |
0.51 |
1.35 |
2.99 |
74 |
Phenylthiourea |
2.18 |
1.25 |
1.72 |
0.49 |
0.78 |
1.18 |
0.73 |
75 |
Coumarin |
3.24 |
1.06 |
1.79 |
0.00 |
0.46 |
1.06 |
1.32 |
76 |
Phthalide |
2.37 |
0.95 |
1.90 |
0.00 |
0.46 |
0.96 |
0.80 |
77 |
Piperonol |
2.78 |
0.99 |
1.60 |
0.00 |
0.52 |
1.02 |
1.05 |
78 |
Pyridine |
1.60 |
0.63 |
0.84 |
0.00 |
0.47 |
0.68 |
0.65 |
79 |
Quinoline |
2.72 |
1.27 |
0.97 |
0.00 |
0.51 |
1.04 |
2.03 |
80 |
Antipyrine |
1.89 |
1.32 |
1.50 |
0.00 |
1.48 |
1.55 |
0.23 |
81 |
Caffine |
1.92 |
1.40 |
1.55 |
0.00 |
1.34 |
1.36 |
-0.07 |
82 |
Morphine |
2.76 |
2.20 |
2.34 |
0.86 |
1.79 |
2.06 |
0.76 |
83 |
Phenylurea |
2.34 |
1.11 |
1.40 |
0.77 |
0.77 |
1.07 |
0.83 |
84 |
Acetamide |
0.77 |
0.46 |
1.30 |
0.54 |
0.68 |
0.51 |
-1.26 |
85 |
Methylurethane |
0.57 |
0.26 |
0.82 |
0.24 |
0.61 |
0.85 |
0.34 |
86 |
Nicotine |
3.51 |
0.87 |
1.34 |
0.00 |
0.94 |
1.37 |
1.17 |
87 |
2-Propylpiperidine |
3.48 |
0.36 |
0.44 |
0.10 |
0.69 |
1.23 |
2.15 |
88 |
Urea |
0.60 |
0.50 |
1.00 |
0.50 |
0.90 |
0.46 |
-2.11 |
89 |
N-Ethylurethane |
1.46 |
0.24 |
0.82 |
0.24 |
0.61 |
0.99 |
1.02 |
90 |
N-Propylurethane |
2.18 |
0.23 |
0.82 |
0.24 |
0.61 |
1.13 |
1.55 |
91 |
N-Isobutylurethane |
2.50 |
0.20 |
0.79 |
0.24 |
0.61 |
1.27 |
2.02 |
92 |
N-Isopentylurethane |
2.93 |
0.19 |
0.79 |
0.24 |
0.61 |
1.41 |
2.64 |
93 |
Methanol |
0.23 |
0.28 |
0.44 |
0.43 |
0.47 |
0.31 |
-0.74 |
94 |
Ethanol |
0.72 |
0.25 |
0.42 |
0.37 |
0.48 |
0.45 |
-0.30 |
95 |
Propan-1-ol |
1.14 |
0.24 |
0.42 |
0.37 |
0.48 |
0.59 |
0.25 |
96 |
Butan-1-ol |
1.97 |
0.22 |
0.42 |
0.37 |
0.48 |
0.73 |
0.84 |
97 |
Pentan-1-ol |
2.54 |
0.22 |
0.42 |
0.37 |
0.48 |
0.87 |
1.51 |
98 |
Hexan-1-ol |
3.24 |
0.21 |
0.42 |
0.37 |
0.48 |
0.01 |
2.03 |
99 |
Heptan-1-ol |
3.64 |
0.21 |
0.42 |
0.37 |
0.48 |
1.15 |
2.62 |
100 |
Octan-1-ol |
4.24 |
0.20 |
0.42 |
0.37 |
0.48 |
1.30 |
3.07 |
101 |
Nonan-1-ol |
4.43 |
0.19 |
0.42 |
0.37 |
0.48 |
1.44 |
3.77 |
102 |
Decan-1-ol |
1.90 |
0.19 |
0.42 |
0.37 |
0.48 |
1.58 |
4.18 |
103 |
Undecan-1-ol |
5.09 |
0.18 |
0.42 |
0.37 |
0.48 |
1.72 |
4.72 |
104 |
Dodecan-1-ol |
5.33 |
0.18 |
0.42 |
0.37 |
0.48 |
1.86 |
5.13 |
105 |
Butan-2-ol |
1.77 |
0.22 |
0.36 |
0.33 |
0.56 |
0.73 |
0.65 |
106 |
Pentan-2-ol |
2.32 |
0.20 |
0.36 |
0.33 |
0.56 |
0.87 |
1.25 |
107 |
Hexan-2-ol |
2.86 |
0.19 |
0.36 |
0.33 |
0.56 |
1.01 |
1.76 |
108 |
Heptan-2-ol |
3.48 |
0.19 |
0.36 |
0.33 |
0.56 |
1.15 |
2.31 |
109 |
Octan-2-ol |
4.21 |
0.16 |
0.36 |
0.33 |
0.56 |
1.30 |
2.90 |
110 |
Cyclohexanol |
2.30 |
0.46 |
0.54 |
0.32 |
0.57 |
0.90 |
1.23 |
111 |
Cycloheptanol |
2.89 |
0.51 |
0.54 |
0.32 |
0.58 |
1.05 |
1.80 |
112 |
Cyclooctanol |
3.41 |
0.58 |
0.54 |
0.32 |
0.58 |
1.19 |
2.36 |
113 |
Cyclodecanol |
4.08 |
0.62 |
0.54 |
0.32 |
0.58 |
1.47 |
3.48 |
114 |
Pentan-1,5-diol |
1.72 |
0.39 |
0.95 |
0.72 |
0.92 |
0.93 |
-0.25 |
115 |
Hexan-1,6-diol |
1.60 |
0.39 |
0.95 |
0.75 |
0.92 |
1.07 |
0.25 |
116 |
Heptan-1,7-diol |
2.48 |
0.38 |
0.95 |
0.75 |
0.92 |
1.21 |
0.78 |
117 |
Octan-1,8-diol |
3.02 |
0.38 |
0.95 |
0.75 |
0.92 |
1.35 |
1.32 |
118 |
Nonan-1,9-diol |
3.19 |
0.37 |
0.95 |
0.75 |
0.92 |
1.49 |
1.85 |
119 |
Decan-1,10-diol |
3.60 |
0.37 |
0.95 |
0.75 |
0.92 |
1.64 |
2.39 |
120 |
Dodecan-1,12-diol |
4.41 |
0.36 |
0.95 |
0.75 |
0.92 |
1.92 |
3.46 |
121 |
Acetal |
1.92 |
0.00 |
0.67 |
0.00 |
0.08 |
1.07 |
0.84 |
122 |
Benzamide |
2.52 |
0.99 |
1.50 |
0.49 |
0.67 |
0.97 |
0.64 |
123 |
Benzylalcohol |
2.70 |
0.80 |
0.87 |
0.39 |
0.56 |
0.92 |
1.10 |
*All the values were taken from [35].