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: | 998 | |
|---|---|---|
| Name: | 4(3H)-Pyrimidone | |
| Description: | Name was changed. Original name was: 4(3H)-pyridone | |
| Labels: | ||
| CAS: | 51953-17-4 | |
| InChi Code: | InChI=1S/C4H4N2O/c7-4-1-2-5-3-6-4/h1-3H,(H,5,6,7) |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| -1.38 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| 0.59 |
experimental value |
| 0.4 |
Eq.1: General solubility equation (Test set to verify GSE) |