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:	1713
	Name:	2,3-dimethylbuta-1,3-diene
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,3-Dimethyl-1,3-butadiene
	Labels:
	CAS:	513-81-5
	InChi Code:	InChI=1S/C6H10/c1-5(2)6(3)4/h1,3H2,2,4H3

Properties

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

Value	Source or prediction
4.08	experimental value
3.4696	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID2022046	US EPA CompTox Dashboard