| MolName | 5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one |
| MolecularFormula | C10H7N5OCl2 |
| Smiles | O=C(NN=C1)N=C1N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C10H7Cl2N5O/c11-7-2-1-6(8(12)3-7)4-13-16-9-5-14-17-10(18)15-9/h1-5H,(H2,15,16,17,18) |
| InChIK | LCQAOVPJERMRQJ-UHFFFAOYSA-N |
| TotalMolweight | 284.106 |
| Molweight | 284.106 |
| MonoisotopicMass | 283.002764 |
| CLogP | 2.1551 |
| CLogS | -4.938 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 203.76 |
| Relative PSA | 0.34595 |
| PolarSurfaceArea | 78.21 |
| Druglikeness | 3.7509 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| StereoCon |
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1 - 5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one | 2 - 5-[(2Z)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one