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: | 304 | |
|---|---|---|
| Name: | 4-benzoylbenzene-1,3-diol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4-Hydroxybenzophenone | |
| Labels: | ||
| CAS: | 131-56-6 | |
| InChi Code: | InChI=1S/C13H10O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h1-8,14-15H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.61 |
experimental value |
| -2.3321 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8022406 | US EPA CompTox Dashboard |