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: | 1775 | |
|---|---|---|
| Name: | (benzenesulfinyl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenyl sulfoxide | |
| Labels: | ||
| CAS: | 945-51-7 | |
| InChi Code: | InChI=1S/C12H10OS/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 3.37 |
experimental value |
| 4.4196 |
Tab2.Model_1: P. promelas LC50 (Training set) |