4-nitro-2-{[(1H-1,2,4-triazol-3-yl)imino]methyl}phenol
Chemical Structure Depiction of
4-nitro-2-{[(1H-1,2,4-triazol-3-yl)imino]methyl}phenol
4-nitro-2-{[(1H-1,2,4-triazol-3-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 8004-5286 |
| Compound Name: | 4-nitro-2-{[(1H-1,2,4-triazol-3-yl)imino]methyl}phenol |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C9 H7 N5 O3 |
| Smiles: | C(\c1cc(ccc1O)[N+]([O-])=O)=N/c1nc[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.1047 |
| logD: | 0.2261 |
| logSw: | -1.96 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.133 |
| InChI Key: | QRDYNUKLHKSHGV-UHFFFAOYSA-N |