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: | 289 | |
|---|---|---|
| Name: | heptyl 4-hydroxybenzoate | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Heptyl p-hydroxybenzoate | |
| Labels: | ||
| CAS: | 1085-12-7 | |
| InChi Code: | InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.09 |
experimental value |
| -2.2658 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022523 | US EPA CompTox Dashboard |