Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 292 | |
|---|---|---|
| Name: | 4'-chloro-[1,1'-biphenyl]-4-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Chloro-4'-biphenylol | |
| Labels: | ||
| CAS: | 28034-99-3 | |
| InChi Code: | InChI=1S/C12H9ClO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.18 |
experimental value |
| -2.2443 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |