10967/188 - QDB Compounds

QsarDB Repository

Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

ID:435
Name:Oryzalin
Description:
Labels:
CAS:19044-88-3
InChi Code:InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.61

experimental value

-3.58

Eq.1: General solubility equation (Test set to verify GSE)

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