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:V15
Name:2,2,6,9,9-pentanitro-4-oxa-5-oxo-6-azadecane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H12N6O12/c1-7(10(16)17,11(18)19)3-4-9(14(24)25)6(15)26-5-8(2,12(20)21)13(22)23/h3-5H2,1-2H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.67

experimental value

1.8

Eq6: Model for nitramines (Test set)