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:19
Name:5-chlorosalicylic acid
Description:
Labels:
CAS:
InChi Code:InChI=1/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)/f/h10H

Properties

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

ValueSource or prediction
-4.3364

experimental value

-2.6152

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

-3.4378

Eq4: Including pKa for polar narcosis (Training set)

-4.045

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

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