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: | 244 | |
|---|---|---|
| Name: | 4-[2,2-dichloro-1-(4-hydroxyphenyl)ethenyl]phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Dihydroxymethoxychlor olefin | |
| Labels: | ||
| CAS: | 14868-03-2 | |
| InChi Code: | InChI=1S/C14H10Cl2O2/c15-14(16)13(9-1-5-11(17)6-2-9)10-3-7-12(18)8-4-10/h1-8,17-18H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| 0.42 |
experimental value |
| -0.6901 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |