10967/139 - QDB Compounds

QsarDB Repository

Ringeissen, S.; Marrot, L.; Note, R.; Labarussiat, A.; Imbert, S.; Todorov, M.; Mekenyan, O.; Meunier, J.-R. Development of a mechanistic SAR model for the detection of phototoxic chemicals and use in an integrated testing strategy. Toxicol. In Vitro 2011, 25, 324–334.

Compound

ID:17
Name:Anthracene
Description:
Labels:
CAS:120-12-7
InChi Code:InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H

Properties

3T3_NRU_Phototoxicity: Neural red uptake phototoxicity: P - phototoxic, nP - non-phototoxic

ValueSource or prediction
P

experimental value

P

Phototoxicity_window: Acute phototoxicity classifier based on HOMO-LUMO energy gap (EGAP) (Training set)

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