4-nitro-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Chemical Structure Depiction of
4-nitro-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenol
4-nitro-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 2348-4125 |
| Compound Name: | 4-nitro-2-{[(4H-1,2,4-triazol-4-yl)imino]methyl}phenol |
| Molecular Weight: | 233.18 |
| Molecular Formula: | C9 H7 N5 O3 |
| Smiles: | C(\c1cc(ccc1O)[N+]([O-])=O)=N/n1cnnc1 |
| Stereo: | ACHIRAL |
| logP: | 0.6559 |
| logD: | -1.5365 |
| logSw: | -1.6437 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.136 |
| InChI Key: | XLWQINDECVZCLQ-UHFFFAOYSA-N |