Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Res. 2011, 45, 3, 1463–1471.
Compound
| ID: | 002683-90-1 | |
|---|---|---|
| Name: | 2,3-dihydrotriazolo[4,5-e]pyrimidin-7-one | |
| Description: | InChI code and name were downloaded from http://cactus.nci.nih.gov | |
| Labels: | ||
| CAS: | 2683-90-1 | |
| InChi Code: | InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1H,(H2,5,6,7,8,9,10) |
Properties
logKow: Octanol/water partition coefficient as logKow
| Value | Source or prediction |
|---|---|
| -1.97 |
experimental value |
| -0.63 |
Eq2: Model for octanol/water partition coefficient (Training set) |