10967/200 - QDB Compounds

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Katritzky, A. R.; Kasemets, K.; Slavov, S.; Radzvilovits, M.; Tämm, K.; Karelson, M. Estimating the toxicities of organic chemicals in activated sludge process. Water Res. 2010, 44, 2451–2460.

Compound

ID:42
Name:1,3-Dichloropropane
Description:
Labels:
CAS:142-28-9
InChi Code:InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2

Properties

logEC50: Bioluminescent Shk1 aquatic toxicity as logEC50 [log(mmol/L)] i

ValueSource or prediction
0.59

experimental value

0.56

Table.8: Final model (Training set)

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