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: | 329 | |
|---|---|---|
| Name: | 3,3',5,5'-tetrachloro-[1,1'-biphenyl]-4,4'-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,3',5,5'-Tetrachloro-4,4'-biphenyldiol | |
| Labels: | ||
| CAS: | 13049-13-3 | |
| InChi Code: | InChI=1S/C12H6Cl4O2/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4,17-18H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.25 |
experimental value |
| -1.5082 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |