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:T28
Name:2,2,4,7,9,9-hexanitro-4,7-diazadecane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H14N8O12/c1-7(11(17)18,12(19)20)5-9(15(25)26)3-4-10(16(27)28)6-8(2,13(21)22)14(23)24/h3-6H2,1-2H3

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.86

experimental value

1.66

Eq6: Model for nitramines (Training set)