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: | 1768 | |
|---|---|---|
| Name: | (phenyldisulfanyl)benzene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenyl disulfide | |
| Labels: | ||
| CAS: | 882-33-7 | |
| InChi Code: | InChI=1S/C12H10S2/c1-3-7-11(8-4-1)13-14-12-9-5-2-6-10-12/h1-10H |
Properties
M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]
| Value | Source or prediction |
|---|---|
| 6.3 |
experimental value |
| 5.4455 |
Tab2.Model_1: P. promelas LC50 (Training set) |