4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)hydrazinylidene]ethyl}benzene-1,2,3-triol
Chemical Structure Depiction of
4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)hydrazinylidene]ethyl}benzene-1,2,3-triol
4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)hydrazinylidene]ethyl}benzene-1,2,3-triol
Compound characteristics
| Compound ID: | K007-1071 |
| Compound Name: | 4-{1-[2-(1,3-dimethyl-4-nitro-1H-pyrazol-5-yl)hydrazinylidene]ethyl}benzene-1,2,3-triol |
| Molecular Weight: | 321.29 |
| Molecular Formula: | C13 H15 N5 O5 |
| Smiles: | C\C(c1ccc(c(c1O)O)O)=N/Nc1c(c(C)nn1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3106 |
| logD: | 1.2984 |
| logSw: | -2.2809 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 115.461 |
| InChI Key: | FRGGSNXIEMJTEN-UHFFFAOYSA-N |