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: | 282 | |
|---|---|---|
| Name: | 2-Phenyl-3,1-benzoxazin-4-one | |
| Description: | ||
| Labels: | ||
| CAS: | 1022-46-4 | |
| InChi Code: | InChI=1S/C14H9NO2/c16-14-11-8-4-5-9-12(11)15-13(17-14)10-6-2-1-3-7-10/h1-9H |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -4.61 |
experimental value |
| -3.04 |
Eq.1: General solubility equation (Test set to verify GSE) |