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: | 301 | |
|---|---|---|
| Name: | 4-(4-hydroxybenzoyl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4,4'-Dihydoxy-benzophenone | |
| Labels: | ||
| CAS: | 611-99-4 | |
| InChi Code: | InChI=1S/C13H10O3/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,14-15H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.46 |
experimental value |
| -2.0723 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |