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:	48
	Name:	R019-5686
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C24H22N2O3S/c1-29-15-18-8-5-11-25(18)24(28)20-14-19(16-6-3-2-4-7-16)23(27)26-12-9-17-10-13-30-22(17)21(20)26/h2-4,6-7,9-10,12-14,18H,5,8,11,15H2,1H3

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)