5-chloro-4-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
Formula:C17H13N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-chloro-4-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.
| MolName | 5-chloro-4-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one |
| MolecularFormula | C17H13N4O2Cl |
| Smiles | O=C1NN=CC(N/N=C/c2cc(Oc3ccccc3)ccc2)=C1Cl |
| InChI | InChI=1S/C17H13ClN4O2/c18-16-15(11-20-22-17(16)23)21-19-10-12-5-4-8-14(9-12)24-13-6-2-1-3-7-13/h1-11H,(H2,21,22,23) |
| InChIK | XGRNBZJDUTYKRV-UHFFFAOYSA-N |
| TotalMolweight | 340.769 |
| Molweight | 340.769 |
| MonoisotopicMass | 340.072703 |
| CLogP | 3.0284 |
| CLogS | -6.172 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.05 |
| Relative PSA | 0.26731 |
| PolarSurfaceArea | 75.08 |
| Druglikeness | 3.6489 |
| 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 | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 5-chloro-4-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one | 2 - 5-chloro-4-[(2E)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
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