10967/134 - QDB Compounds

QsarDB Repository

Liu, J.; Zhang, X. Comparative toxicity of new halophenolic DBPs in chlorinated saline wastewater effluents against a marine alga: Halophenolic DBPs are generally more toxic than haloaliphatic ones. Water Res. 2014, 65, 64–72.

Compound

ID:12
Name:2,4-dibromophenol
Description:
Labels:
CAS:
InChi Code:InChI=1/C6H4Br2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H

Properties

pEC50: 6-day algal toxicity as log(1/EC50) [log(1/microM)] i

ValueSource or prediction
-1.8941

experimental value

-2.4033

Eq3: Model with logKow - non-polar narcosis (Training set)

-2.0463

Eq4: Including pKa for polar narcosis (Training set)

-2.1114

Eq5: Accounting for molecular structure of DBPs (Training set)

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