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: | 346 | |
|---|---|---|
| Name: | 4-ethylphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Ethylphenol | |
| Labels: | ||
| CAS: | 123-07-9 | |
| InChi Code: | InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h3-6,9H,2H2,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.07 |
experimental value |
| 3.7082 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M4.logRBA: Estrogen receptor relative binding affinity as log(RBA)
| Value | Source or prediction |
|---|---|
| -4.17 |
experimental value |
| -3.8493 |
Tab2.Model_4: EDC estrogen receptor binding (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4021977 | US EPA CompTox Dashboard |