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: | 319 | |
|---|---|---|
| Name: | [1,1'-biphenyl]-4-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: [1.1 -Biphenyl]-4-ol | |
| Labels: | ||
| CAS: | 92-69-3 | |
| InChi Code: | InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H |
Properties
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -3.04 |
experimental value |
| -2.8887 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
M5.logHLn: Biotransformation half-lives in fish
| Value | Source or prediction |
|---|---|
| -0.814174539 |
experimental value |
| -0.5433 |
Tab2.Model_5: Metab. biotransf. fish (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021152 | US EPA CompTox Dashboard |