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-007
Name:1,4-Dibromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H6Br2O/c13-8-5-6-9(14)12-11(8)7-3-1-2-4-10(7)15-12/h1-6H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-2.03889431878336

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