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: | 313 | |
|---|---|---|
| Name: | 1,3-diphenylprop-2-en-1-one | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Chalcone | |
| Labels: | ||
| CAS: | 94-41-7 | |
| InChi Code: | InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.82 |
experimental value |
| -4.3695 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |