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:	697
	Name:	5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Safrole
	Labels:
	CAS:	94-59-7
	InChi Code:	InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2

Properties

M2.logKoc: Soil sorption coefficient as log(Koc) i

Value	Source or prediction
2.83	experimental value
2.757	Tab2.Model_2: logKoc (Training set)

Links to External Resources

Link	Resource description
DTXSID0021254	US EPA CompTox Dashboard