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: | 307 | |
|---|---|---|
| Name: | 4-(2-phenylethyl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Phenethylphenol | |
| Labels: | ||
| CAS: | 6335-83-7 | |
| InChi Code: | InChI=1S/C14H14O/c15-14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11,15H,6-7H2 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.69 |
experimental value |
| -2.2822 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022460 | US EPA CompTox Dashboard |