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: | 284 | |
|---|---|---|
| Name: | 4-dodecylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Dodecylphenol | |
| Labels: | ||
| CAS: | 104-43-8 | |
| InChi Code: | InChI=1S/C18H30O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h13-16,19H,2-12H2,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -1.73 |
experimental value |
| -0.836 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID1022508 | US EPA CompTox Dashboard |