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: | 781 | |
|---|---|---|
| Name: | 3-methoxyphenol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Methoxyphenol | |
| Labels: | ||
| CAS: | 150-19-6 | |
| InChi Code: | InChI=1S/C7H8O2/c1-9-7-4-2-3-6(8)5-7/h2-5,8H,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.23 |
experimental value |
| 3.3569 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 1.5 |
experimental value |
| 2.1357 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0022012 | US EPA CompTox Dashboard |