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: | 294 | |
|---|---|---|
| Name: | 4-(2-phenylpropan-2-yl)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: p-Cumyl phenol | |
| Labels: | ||
| CAS: | 599-64-4 | |
| InChi Code: | InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.3 |
experimental value |
| -1.9888 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3022536 | US EPA CompTox Dashboard |