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: | 295 | |
|---|---|---|
| Name: | 4-octylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-n-Octylphenol | |
| Labels: | ||
| CAS: | 1806-26-4 | |
| InChi Code: | InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.31 |
experimental value |
| -1.7683 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9022312 | US EPA CompTox Dashboard |