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: | 310 | |
|---|---|---|
| Name: | 2-chloro-[1,1'-biphenyl]-4-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Chloro-4-biphenylol | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H9ClO/c13-12-8-10(14)6-7-11(12)9-4-2-1-3-5-9/h1-8,14H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.77 |
experimental value |
| -2.4989 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |