2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethan-1-one
Chemical Structure Depiction of
2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethan-1-one
2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethan-1-one
Compound characteristics
| Compound ID: | 8002-4109 |
| Compound Name: | 2-(3-nitro-1H-1,2,4-triazol-1-yl)-1-phenylethan-1-one |
| Molecular Weight: | 232.2 |
| Molecular Formula: | C10 H8 N4 O3 |
| Smiles: | C(C(c1ccccc1)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.9671 |
| logD: | 0.9671 |
| logSw: | -1.9294 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.881 |
| InChI Key: | BKXFCLQGXYWHEJ-UHFFFAOYSA-N |