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:	1409
	Name:	8-methylnonyl diphenyl phosphate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Phosphoric acid. isodecyl diphenyl ester
	Labels:
	CAS:	29761-21-5
	InChi Code:	InChI=1S/C22H31O4P/c1-20(2)14-8-4-3-5-13-19-24-27(23,25-21-15-9-6-10-16-21)26-22-17-11-7-12-18-22/h6-7,9-12,15-18,20H,3-5,8,13-14,19H2,1-2H3

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.139174539	experimental value
0.1469	Tab2.Model_5: Metab. biotransf. fish (Training set)