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: | 327 | |
|---|---|---|
| Name: | propyl 4-hydroxybenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: n-Propyl 4-hydroxybenzoate | |
| Labels: | ||
| CAS: | 94-13-3 | |
| InChi Code: | InChI=1S/C10H12O3/c1-2-7-13-10(12)8-3-5-9(11)6-4-8/h3-6,11H,2,7H2,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.22 |
experimental value |
| -3.3915 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022527 | US EPA CompTox Dashboard |