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:V18
Name:1,1,1,3,6,9,12,14,14,14-Decanitro-3,6,9,12-tetrazatetradecane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C10H16N14O20/c25-15(26)9(16(27)28,17(29)30)7-13(23(41)42)5-3-11(21(37)38)1-2-12(22(39)40)4-6-14(24(43)44)8-10(18(31)32,19(33)34)20(35)36/h1-8H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.28

experimental value

1.27

Eq6: Model for nitramines (Test set)