Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for relative binding affinity to estrogen receptor. Q13-418a-0021. Molcode Ltd., 2009.
Compound
| ID: | 42 | |
|---|---|---|
| Name: | 2-chloro-4-methylphenol | |
| Description: | ||
| 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
logER-RBA: Estrogen receptor binding in rat uterine cytosol [%]
| Value | Source or prediction |
|---|---|
| -3.66 |
experimental value |
| -2.86 |
QSAR: Model for estrogen receptor relative binding affinity (Training set) |