ID: | M058 | |
---|---|---|
Name: | Fenoterol | |
Description: | ||
Labels: | ||
CAS: | 13392-18-2 | |
InChi Code: | InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3 |
Class_pH3: Class of membrane permeability at pH 3 i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
M1: Model at pH 3 with hydrophobicity descriptor (Validation set) |
L |
M7: Model at pH 3 with theoretical molecular descriptors (Validation set) |
Class_pH5: Class of membrane permeability at pH 5 i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
M2: Model at pH 5 with hydrophobicity descriptor (Validation set) |
L |
M8: Model at pH 5 with theoretical molecular descriptors (Validation set) |
Class_pH7.4: Class of membrane permeability at pH 7.4 i
Value | Source or prediction |
---|---|
L |
experimental value |
L |
M3: Model at pH 7.4 with hydrophobicity descriptor (Validation set) |
L |
M9: Model at pH 7.4 with theoretical molecular descriptors (Validation set) |
Class_pH9: Class of membrane permeability at pH 9 i
Value | Source or prediction |
---|---|
L |
experimental value |
H |
M4: Model at pH 9 with hydrophobicity descriptor (Training set) |
L |
M10: Model at pH 9 with theoretical molecular descriptors (Training set) |
Class_highest: Class of highest membrane permeability for pH range 3 to 9 i
Value | Source or prediction |
---|---|
L |
experimental value |
H |
M5: Model for highest membrane permeability with hydrophobicity descriptor (Training set) |
L |
M11: Model for highest membrane permeability with theoretical molecular descriptors (Training set) |
Class_logPo: Class of intrinsic membrane permeability i
Value | Source or prediction |
---|---|
L |
experimental value |
H |
M6: Model for intrinsic membrane permeability (logPo) with hydrophobicity descriptor (Training set) |
L |
M12: Model for intrinsic membrane permeability (logPo) with theoretical molecular descriptors (Training set) |
Link | Resource description |
---|---|
DTXSID4023046 | US EPA CompTox Dashboard |