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:T26
Name:1,1,1,3,6,9,11,11,11-nonanitro-3,6,9-triazaundecane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H12N12O18/c21-12(22)7(13(23)24,14(25)26)5-10(19(35)36)3-1-9(18(33)34)2-4-11(20(37)38)6-8(15(27)28,16(29)30)17(31)32/h1-6H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.08

experimental value

1.13

Eq6: Model for nitramines (Training set)