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: | 278 | |
|---|---|---|
| Name: | 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Aurin | |
| Labels: | ||
| CAS: | 603-45-2 | |
| InChi Code: | InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -1.5 |
experimental value |
| -0.2811 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID2022387 | US EPA CompTox Dashboard |