1-(3,4-dihydroxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
1-(3,4-dihydroxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8013-1812 |
| Compound Name: | 1-(3,4-dihydroxyphenyl)-2-(3-nitro-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 264.19 |
| Molecular Formula: | C10 H8 N4 O5 |
| Smiles: | C(C(c1ccc(c(c1)O)O)=O)n1cnc(n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.403 |
| logD: | 0.2207 |
| logSw: | -1.7113 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.978 |
| InChI Key: | NJYZXVXIVXSMQD-UHFFFAOYSA-N |