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:T18
Name:2,2,2-trinitroethyl-4-nitrazavalerate
Description:Structure was corrected by the authors
Labels:
CAS:
InChi Code:InChI=1S/C6H9N5O10/c1-7(11(19)20)3-2-5(12)21-4-6(8(13)14,9(15)16)10(17)18/h2-4H2,1H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.54

experimental value

1.71

Eq6: Model for nitramines (Training set)