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: | 263 | |
|---|---|---|
| Name: | 2',3',4',5'-tetrachloro-[1,1'-biphenyl]-4-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3,4,5-Tetrachloro-4'-biphenylol | |
| Labels: | ||
| CAS: | 67651-34-7 | |
| InChi Code: | InChI=1S/C12H6Cl4O/c13-9-5-8(10(14)12(16)11(9)15)6-1-3-7(17)4-2-6/h1-5,17H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -0.64 |
experimental value |
| -1.666 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |