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:T31
Name:Bis-(5,5,5-trinitro-3-nitrazapentanoyl)-methylene dinitramine
Description:Structure, descriptor (OB) value and calculated impact sensitivity were corrected by the authors
Labels:
CAS:
InChi Code:InChI=1S/C9H14N14O20/c24-14(25)8(15(26)27,16(28)29)5-10(20(36)37)1-3-12(22(40)41)7-13(23(42)43)4-2-11(21(38)39)6-9(17(30)31,18(32)33)19(34)35/h1-7H2

Properties

log_h50%: Impact sensitivity [cm]

ValueSource or prediction
1.18

experimental value

1.15

Eq6: Model for nitramines (Training set)