5-chloro-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C11H9N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C11H9N4O2Cl |
| Smiles | Oc1cccc(/C=N/NC(C=NNC2=O)=C2Cl)c1 |
| InChI | InChI=1S/C11H9ClN4O2/c12-10-9(6-14-16-11(10)18)15-13-5-7-2-1-3-8(17)4-7/h1-6,17H,(H2,15,16,18) |
| InChIK | PYYWVUBALUMAIY-UHFFFAOYSA-N |
| TotalMolweight | 264.671 |
| Molweight | 264.671 |
| MonoisotopicMass | 264.041403 |
| CLogP | 1.2871 |
| CLogS | -3.579 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 194.64 |
| Relative PSA | 0.37032 |
| PolarSurfaceArea | 86.08 |
| Druglikeness | 3.7145 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.61111 |
| 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 |
| Sp3Atoms | 1 |
| StereoCon |
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1 - 5-chloro-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-chloro-4-[(2E)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
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