Oja, M.; Maran, U. The permeability of artificial membrane for the wide range of pH in human gastrointestinal tract: experimental measurements and quantitative structure-activity relationship. Mol. Inf. 2015, 34, 493–506.
Compound
| ID: | 66 | |
|---|---|---|
| Name: | Nicotine | |
| Description: | ||
| Labels: | pH9, Base | |
| CAS: | 54-11-5 | |
| InChi Code: | InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m1/s1 |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -5.14 |
experimental value |
| -5.24 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (External validation set) |