10967/127 - QDB Compounds

QsarDB Repository

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:007411-23-6
Name:3,5-dibromo-1H-1,2,4-triazole
Description:InChI code and name were downloaded from http://cactus.nci.nih.gov
Labels:
CAS:7411-23-6
InChi Code:InChI=1S/C2HBr2N3/c3-1-5-2(4)7-6-1/h(H,5,6,7)

Properties

logKow: Octanol/water partition coefficient as logKow

ValueSource or prediction
2.24

experimental value

2.29

Eq2: Model for octanol/water partition coefficient (Training set)

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