4-chloro-5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-phenylpyridazin-3-one
Formula:C15H11N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-chloro-5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-phenylpyridazin-3-one is a drug-like molecule.
| MolName | 4-chloro-5-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-2-phenylpyridazin-3-one |
| MolecularFormula | C15H11N4O2Cl |
| Smiles | O=C1N(c2ccccc2)N=CC(N/N=C\c2ccco2)=C1Cl |
| InChI | InChI=1S/C15H11ClN4O2/c16-14-13(19-17-9-12-7-4-8-22-12)10-18-20(15(14)21)11-5-2-1-3-6-11/h1-10,19H |
| InChIK | QCTCCGUUDDQSLV-UHFFFAOYSA-N |
| TotalMolweight | 314.731 |
| Molweight | 314.731 |
| MonoisotopicMass | 314.057053 |
| CLogP | 2.7895 |
| CLogS | -4.267 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.58 |
| Relative PSA | 0.27551 |
| PolarSurfaceArea | 70.2 |
| Druglikeness | 3.1855 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; 2-halo-enone |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| StereoCon |
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