Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.

Compound

	ID:	1269
	Name:	(3S)-3,4-dichlorobut-1-ene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 3,4-Dichloro-1-butene
	Labels:
	CAS:	760-23-6
	InChi Code:	InChI=1S/C4H6Cl2/c1-2-4(6)3-5/h2,4H,1,3H2/t4-/m0/s1

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
4.18	experimental value
3.6871	Tab2.Model_1: P. promelas LC50 (Training set)

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-1.279174539	experimental value
-0.268	Tab2.Model_5: Metab. biotransf. fish (Training set)