10967/188 - QDB Compounds

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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:511
Name:Noscapine
Description:
Labels:
CAS:128-62-1
InChi Code:InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.14

experimental value

-3.06

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

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