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: | 265 | |
|---|---|---|
| Name: | bis(2,4-dihydroxyphenyl)ethane-1,2-dione | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,2',4,4'-Tetrahydroxybenzil | |
| Labels: | ||
| CAS: | 5394-98-9 | |
| InChi Code: | InChI=1S/C14H10O6/c15-7-1-3-9(11(17)5-7)13(19)14(20)10-4-2-8(16)6-12(10)18/h1-6,15-18H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -0.68 |
experimental value |
| -1.8328 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1022502 | US EPA CompTox Dashboard |