Prana, V.; Fayet, G.; Rotureau, P.; Adamo, C. Development of validated QSPR models for impact sensitivity of nitroaliphatic compounds. J. Hazard. Mater. 2012, 235-236, 169–177.
Compound
| ID: | mol15 | |
|---|---|---|
| Name: | Bis-(trinitroethyl)-oxamide | |
| Description: | ||
| Labels: | ||
| CAS: | 83464-17-9 | |
| InChi Code: | InChI=1S/C6H6N8O14/c15-3(7-1-5(9(17)18,10(19)20)11(21)22)4(16)8-2-6(12(23)24,13(25)26)14(27)28/h1-2H2,(H,7,15)(H,8,16) |
Properties
h50: Impact sensitivity [cm]
| Value | Source or prediction |
|---|---|
| 13 |
experimental value |
log_h50: Impact sensitivity as log h50% [log(cm)]
| Value | Source or prediction |
|---|---|
| 1.11 |
experimental value |
| 1.18 |
Eq.11: Model for nitroaliphatic compounds with constitutional descriptors (Training set) |