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: | 312 | |
|---|---|---|
| Name: | (1,2-diphenylethenyl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Triphenylethylene | |
| Labels: | ||
| CAS: | 58-72-0 | |
| InChi Code: | InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.78 |
experimental value |
| -2.4751 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |