Moosus, M.; Maran, U. Quantitative structure-activity relationship analysis of acute toxicity of diverse chemicals to Daphnia magna with whole molecule descriptors. SAR QSAR Environ. Res. 2011, 22, 7-8, 757–774.

Compound

	ID:	181
	Name:	1-Isothiocyanatobutane
	Description:
	Labels:	Validation
	CAS:	592-82-5
	InChi Code:	InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3

Properties

logLC50: 48-h Daphnia toxicity as log(LC50) [log(mol/L)]

Value	Source or prediction
-5.428	experimental value
-4.2932	Tab2: Model for diverse chemicals (External validation set)

Links to External Resources

Link	Resource description
DTXSID7060467	US EPA CompTox Dashboard