2-(3,4-dichlorophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(3,4-dichlorophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
2-(3,4-dichlorophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 2083-0032 |
| Compound Name: | 2-(3,4-dichlorophenyl)-4-[(2-hydroxy-5-nitrophenyl)methylidene]-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 392.2 |
| Molecular Formula: | C17 H11 Cl2 N3 O4 |
| Smiles: | CC1/C(=C\c2cc(ccc2O)[N+]([O-])=O)C(N(c2ccc(c(c2)[Cl])[Cl])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5778 |
| logD: | 2.9324 |
| logSw: | -4.4008 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.516 |
| InChI Key: | BXXFZVDWGLVIKW-UHFFFAOYSA-N |