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: | 323 | |
|---|---|---|
| Name: | 4-(4-hydroxybenzenesulfonyl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'-Sulfonyldiphenol | |
| Labels: | ||
| CAS: | 80-09-1 | |
| InChi Code: | InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.07 |
experimental value |
| -3.7909 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |