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: | 679 | |
|---|---|---|
| Name: | naphthalen-1-ol | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Naphthol | |
| Labels: | ||
| CAS: | 90-15-3 | |
| InChi Code: | InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.49 |
experimental value |
| 3.923 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.03 |
experimental value |
| 2.633 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6021793 | US EPA CompTox Dashboard |