10967/231 - QDB Compounds

QsarDB Repository

Fayet, G.; Rotureau, P. Development of simple QSPR models for the impact sensitivity of nitramines. J. Loss Prev. Process Ind. 2014, 30, 1–8.

Compound

ID:V05
Name:N-nitro-N-(3,3,3-trinitropropyl)-2,2,2-trinitroethyl carbamate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C6H6N8O16/c15-4(30-3-6(11(22)23,12(24)25)13(26)27)7(14(28)29)2-1-5(8(16)17,9(18)19)10(20)21/h1-3H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
0.95

experimental value

1

Eq6: Model for nitramines (Test set)