1~1~,2~4~,3~1~-trinitro-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Chemical Structure Depiction of
1~1~,2~4~,3~1~-trinitro-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
1~1~,2~4~,3~1~-trinitro-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole
Compound characteristics
| Compound ID: | 8006-8646 |
| Compound Name: | 1~1~,2~4~,3~1~-trinitro-1~1~H,2~1~H,3~1~H-1~4~,2~3~:2~5~,3~4~-terpyrazole |
| Molecular Weight: | 335.19 |
| Molecular Formula: | C9 H5 N9 O6 |
| Smiles: | c1c(cn(n1)[N+]([O-])=O)c1c(c(c2cnn(c2)[N+]([O-])=O)[nH]n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.6624 |
| logD: | -0.8902 |
| logSw: | -1.0477 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.218 |
| InChI Key: | UBBYYFZSKCYOBC-UHFFFAOYSA-N |