ID: | B6 | |
---|---|---|
Name: | Atenolol | |
Description: | ||
Labels: | Base | |
CAS: | 29122-68-7 | |
InChi Code: | InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1 |
logPeff_pH7.4: Logarithmic effective membrane permeability at pH 7.4 [log(cm/s)]
Value | Source or prediction |
---|---|
-6.45 |
experimental value |
-7.11 |
Eq.11: QSAR model for membrane permeability of basic compounds at pH 7.4 (Validation set) |
logPeff_pH9: Logarithmic effective membrane permeability at pH 9 [log(cm/s)]
Value | Source or prediction |
---|---|
-6.23 |
experimental value |
-6.42 |
Eq.12: QSAR model for membrane permeability of basic compounds at pH 9 (Training set) |
Link | Resource description |
---|---|
DTXSID2022628 | US EPA CompTox Dashboard |