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:	51
	Name:	Bay-y3118
	Description:
	Labels:
	CAS:
	InChi Code:	InChI=1S/C20H21ClFN3O3.ClH/c21-16-17-12(19(26)13(20(27)28)8-25(17)11-3-4-11)6-14(22)18(16)24-7-10-2-1-5-23-15(10)9-24;/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28);1H/t10-,15+;/m0./s1

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) (Test set)