10967/121 - QDB Compounds

QsarDB Repository

Gajewicz, A.; Haranczyk, M.; Puzyn, T. Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?. Atmos. Environ. 2010, 44, 11, 1428–1436.

Compound

ID:PBDF-037
Name:1,6,8-Tribromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H5Br3O/c13-6-4-7-11-8(14)2-1-3-10(11)16-12(7)9(15)5-6/h1-5H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.98963936701407

Eq.2: GA-PLS model (Test set)