5-chloro-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
Formula:C10H8N5OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C10H8N5OCl |
| Smiles | O=C1NN=CC(N/N=C/c2ccncc2)=C1Cl |
| InChI | InChI=1S/C10H8ClN5O/c11-9-8(6-14-16-10(9)17)15-13-5-7-1-3-12-4-2-7/h1-6H,(H2,15,16,17) |
| InChIK | JUXNYQBOUPTYRJ-UHFFFAOYSA-N |
| TotalMolweight | 249.661 |
| Molweight | 249.661 |
| MonoisotopicMass | 249.041737 |
| CLogP | 0.6319 |
| CLogS | -3.08 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 187.05 |
| Relative PSA | 0.37396 |
| PolarSurfaceArea | 78.74 |
| Druglikeness | 3.7315 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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