| MolName | 5-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H8N4OCl2 |
| Smiles | O=C1NN=CC(N/N=C\c(cc2)ccc2Cl)=C1Cl |
| InChI | InChI=1S/C11H8Cl2N4O/c12-8-3-1-7(2-4-8)5-14-16-9-6-15-17-11(18)10(9)13/h1-6H,(H2,16,17,18) |
| InChIK | LZQZZFBPVLJNII-UHFFFAOYSA-N |
| TotalMolweight | 283.118 |
| Molweight | 283.118 |
| MonoisotopicMass | 282.007515 |
| CLogP | 2.2388 |
| CLogS | -4.611 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 203.71 |
| Relative PSA | 0.28953 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | 3.7315 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 5-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one