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: | 262 | |
|---|---|---|
| Name: | 4-[2,2-dichloro-1-(4-methoxyphenyl)ethenyl]phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Monohydroxymethoxychlor olefin | |
| Labels: | ||
| CAS: | 75938-34-0 | |
| InChi Code: | InChI=1S/C15H12Cl2O2/c1-19-13-8-4-11(5-9-13)14(15(16)17)10-2-6-12(18)7-3-10/h2-9,18H,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -0.63 |
experimental value |
| -0.3092 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0022484 | US EPA CompTox Dashboard |