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: | 318 | |
|---|---|---|
| Name: | 4-[(4-hydroxyphenyl)methyl]phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bis(4-hydroxyphenyl)methane | |
| Labels: | ||
| CAS: | 620-92-8 | |
| InChi Code: | InChI=1S/C13H12O2/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8,14-15H,9H2 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.02 |
experimental value |
| -1.9117 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |