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: | 315 | |
|---|---|---|
| Name: | 4-(heptyloxy)phenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Heptyloxyphenol | |
| Labels: | ||
| CAS: | 13037-86-0 | |
| InChi Code: | InChI=1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -2.88 |
experimental value |
| -1.8564 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5022483 | US EPA CompTox Dashboard |