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: | 19 | |
|---|---|---|
| Name: | Metronidazole | |
| Description: | ||
| Labels: | pH5, Base | |
| CAS: | 443-48-1 | |
| InChi Code: | InChI=1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3 |
Properties
logPeff: Highest logarithmic effective membrane permeability for pH range 3 to 9 [log(cm/s)] i
| Value | Source or prediction |
|---|---|
| -6.91 |
experimental value |
| -6.63 |
Eq4: QSAR model for permeability of drugs and drug-like compounds (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2020892 | US EPA CompTox Dashboard |