5-chloro-4-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one
Formula:C9H7N4OClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C9H7N4OClS |
| Smiles | O=C1NN=CC(N/N=C\c2cccs2)=C1Cl |
| InChI | InChI=1S/C9H7ClN4OS/c10-8-7(5-12-14-9(8)15)13-11-4-6-2-1-3-16-6/h1-5H,(H2,13,14,15) |
| InChIK | XRBRQBWFVGMXID-UHFFFAOYSA-N |
| TotalMolweight | 254.701 |
| Molweight | 254.701 |
| MonoisotopicMass | 254.002908 |
| CLogP | 1.4994 |
| CLogS | -3.885 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 184.23 |
| Relative PSA | 0.43066 |
| PolarSurfaceArea | 94.09 |
| Druglikeness | 5.1889 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| StereoCon |
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