10967/209 - QDB Compounds

QsarDB Repository

Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.

Compound

ID:mol6
Name:2,2,2-Trinitroethyl carbamate
Description:
Labels:
CAS:71706-34-8
InChi Code:InChI=1S/C3H4N4O8/c4-2(8)15-1-3(5(9)10,6(11)12)7(13)14/h1H2,(H2,4,8)

Properties

h50: Impact sensitivity [cm]

ValueSource or prediction
18

experimental value

log_h50: Impact sensitivity as log h50% [log(cm)]

ValueSource or prediction
1.26

experimental value

1.43

Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set)