3,4-dichloro-2-[(2Z)-2-phenyl-2-(phenylhydrazinylidene)ethyl]-2H-furan-5-one
Formula:C18H14N2O2Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
3,4-dichloro-2-[(2Z)-2-phenyl-2-(phenylhydrazinylidene)ethyl]-2H-furan-5-one is not a drug-like molecule.
| MolName | 3,4-dichloro-2-[(2Z)-2-phenyl-2-(phenylhydrazinylidene)ethyl]-2H-furan-5-one |
| MolecularFormula | C18H14N2O2Cl2 |
| Smiles | O=C1OC(C/C(/c2ccccc2)=N/Nc2ccccc2)C(Cl)=C1Cl |
| InChI | InChI=1S/C18H14Cl2N2O2/c19-16-15(24-18(23)17(16)20)11-14(12-7-3-1-4-8-12)22-21-13-9-5-2-6-10-13/h1-10,15,21H,11H2/t15-/m1/s1 |
| InChIK | QVARNPVPLYPSMO-OAHLLOKOSA-N |
| TotalMolweight | 361.227 |
| Molweight | 361.227 |
| MonoisotopicMass | 360.043232 |
| CLogP | 5.1237 |
| CLogS | -5.3 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 261.72 |
| Relative PSA | 0.1758 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -1.8373 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 3,4-dichloro-2-[(2Z)-2-phenyl-2-(phenylhydrazinylidene)ethyl]-2H-furan-5-one | 2 - 3,4-dichloro-2-[(2Z)-2-phenyl-2-(phenylhydrazinylidene)ethyl]-2H-furan-5-one
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