10967/197 - QDB Compounds

QsarDB Repository

Gharagheizi, F. Prediction of upper flammability limit percent of pure compounds from their molecular structures. J. Hazard. Mater. 2009, 167, 507–510.

Compound

ID:856
Name:1,2-Benzisothiazol-3(2H)-one-1,1-dioxide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)

Properties

UFLP: Upper flammability limit percent [%]

ValueSource or prediction
12

experimental value

11.46

Eq.1: Model for diverse and pure compounds (Training set)