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:T30
Name:1,1,1,5,7,10,14,14,14-Nonanitro-3,12-dioxa-4,11-dioxo-5,7,10-triazatetradecane
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H10N12O22/c22-6(42-3-8(13(24)25,14(26)27)15(28)29)11(20(38)39)2-1-10(19(36)37)5-12(21(40)41)7(23)43-4-9(16(30)31,17(32)33)18(34)35/h1-5H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.04

experimental value

1.11

Eq6: Model for nitramines (Training set)