2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0183 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 279.21 |
| Molecular Formula: | C10 H9 N5 O5 |
| Smiles: | C1COc2cc(ccc2O1)n1nc(c(N)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | -0.2215 |
| logD: | -0.2215 |
| logSw: | -1.6401 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.573 |
| InChI Key: | FCMHGGBFQASYDN-UHFFFAOYSA-N |