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: | 1717 | |
|---|---|---|
| Name: | pentylbenzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Amylbenzene | |
| Labels: | ||
| CAS: | 538-68-1 | |
| InChi Code: | InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3 |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 4.94 |
experimental value |
| 5.056 |
Tab2.Model_1: P. promelas LC50 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID6022054 | US EPA CompTox Dashboard |