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:195
Name:Amitraz
Description:
Labels:
CAS:33089-61-1
InChi Code:InChI=1S/C19H23N3/c1-14-6-8-18(16(3)10-14)20-12-22(5)13-21-19-9-7-15(2)11-17(19)4/h6-13H,1-5H3/b20-12+,21-13+

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.47

experimental value

-5.61

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

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