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:1994
Name:1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctane-1-sulfonamide
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Heptadecafluoro-N-(2-hydroxyethyl)-N-methyloctanesulphonamide
Labels:
CAS:24448-09-7
InChi Code:InChI=1S/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h30H,2-3H2,1H3

Properties

M15.logSw: Water solubility as log(Sw) [log(mg/L)]

ValueSource or prediction
-0.09

experimental value

0.6416

Tab2.Model_15: PFC solubility in water (Training set)

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