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:	47
	Name:	R012-9786
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C14H11NO3S/c1-2-18-14(17)10-3-4-11-12-9(6-8-19-12)5-7-15(11)13(10)16/h3-8H,2H2,1H3

Properties

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

Value	Source or prediction
P	experimental value
P	Phototoxicity_window: Acute phototoxicity classifier based on HOMO-LUMO energy gap (EGAP) (Training set)