2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Chemical Structure Depiction of
2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid
Compound characteristics
| Compound ID: | 1652-2321 |
| Compound Name: | 2-{2-[3-methyl-1-(4-nitrophenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]hydrazinyl}benzoic acid |
| Molecular Weight: | 367.32 |
| Molecular Formula: | C17 H13 N5 O5 |
| Smiles: | CC1/C(C(N(c2ccc(cc2)[N+]([O-])=O)N=1)=O)=N/Nc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8672 |
| logD: | 0.325 |
| logSw: | -3.9401 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.654 |
| InChI Key: | JWRBFFSZTUUWBN-UHFFFAOYSA-N |