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:	1684
	Name:	4-(propan-2-yl)benzaldehyde
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: p-lsopropyl benzaldehyde
	Labels:
	CAS:	122-03-2
	InChi Code:	InChI=1S/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3

Properties

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

Value	Source or prediction
4.35	experimental value
3.9858	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID9021974	US EPA CompTox Dashboard