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: | 271 | |
|---|---|---|
| Name: | 4-[2-(4-hydroxyphenyl)butan-2-yl]phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Bisphenol B | |
| Labels: | ||
| CAS: | 77-40-7 | |
| InChi Code: | InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -1.07 |
experimental value |
| -1.013 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |