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: | 341 | |
|---|---|---|
| Name: | 2-chloro-4-methylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Cholor-4-methyl phenol | |
| Labels: | ||
| CAS: | 6640-27-3 | |
| InChi Code: | InChI=1S/C7H7ClO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,1H3 |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.66 |
experimental value |
| -3.9338 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5022512 | US EPA CompTox Dashboard |