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:	777
	Name:	(1R,2R,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Endothal
	Labels:
	CAS:	145-73-3
	InChi Code:	InChI=1S/C8H10O5/c9-7(10)5-3-1-2-4(13-3)6(5)8(11)12/h3-6H,1-2H2,(H,9,10)(H,11,12)/t3-,4+,5-,6-/m0/s1

Properties

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

Value	Source or prediction
2.09	experimental value
0.7851	Tab2.Model_2: logKoc (Training set)