10967/177 - QDB Compounds

QsarDB Repository

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:83
Name:3-(ethanesulfonyl)pyridine-2-sulfonamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-(ethylsulfonyl)pyridine-2-sulfonamide
Labels:
CAS:117671-01-9
InChi Code:InChI=1S/C7H10N2O4S2/c1-2-14(10,11)6-4-3-5-9-7(6)15(8,12)13/h3-5H,2H2,1H3,(H2,8,12,13)

Properties

M22.pEC50: Daphnia toxicity as log(1/EC50) [-log(mol/L)]

ValueSource or prediction
3.13

experimental value

2.7483

Tab2.Model_22: (B)TAZ D.magna EC50 (Training set)