10967/121 - QDB Compounds

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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-001
Name:1-bromodibenzofuran
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H7BrO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H

Properties

logPL: Liquid vapor pressure [Pa]

ValueSource or prediction
-0.900044927106971

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

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