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: | 664 | |
|---|---|---|
| Name: | 1,2-dihydroacenaphthylene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Acenaphthene | |
| Labels: | ||
| CAS: | 83-32-9 | |
| InChi Code: | InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.95 |
experimental value |
| 4.8058 |
Tab2.Model_1: P. promelas LC50 (Training set) |
M2.logKoc: Soil sorption coefficient as log(Koc) i
| Value | Source or prediction |
|---|---|
| 3.85 |
experimental value |
| 3.4429 |
Tab2.Model_2: logKoc (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3021774 | US EPA CompTox Dashboard |