10967/77 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Sparfkin, C.L.; Aptula, A.O. Reactivity-based toxicity modelling of five-membered heterocyclic compounds: Application to Tetrahymena pyriformis. SAR QSAR Environ. Res. 2010, 7, 8, 681–691.

Compound

ID:50
Name:5-Nitrothiophene-2-carboxaldehyde
Description:
Labels:
CAS:4521-33-9
InChi Code:

Properties

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ValueSource or prediction
1.98

experimental value

1.60

1: Michael acceptors (Training)

MOA: Mode of action

ValueSource or prediction
6

experimental value

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