| MolName | 2-[2-chloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide |
| MolecularFormula | C21H17N3O2ClF |
| Smiles | O=C(COc(ccc(/C=N\Nc1ccccc1)c1)c1Cl)Nc(cccc1)c1F |
| InChI | InChI=1S/C21H17ClFN3O2/c22-17-12-15(13-24-26-16-6-2-1-3-7-16)10-11-20(17)28-14-21(27)25-19-9-5-4-8-18(19)23/h1-13,26H,14H2,(H,25,27) |
| InChIK | IKCKODBDHWNCNO-UHFFFAOYSA-N |
| TotalMolweight | 397.836 |
| Molweight | 397.836 |
| MonoisotopicMass | 397.099332 |
| CLogP | 6.2701 |
| CLogS | -5.491 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 303.74 |
| Relative PSA | 0.18921 |
| PolarSurfaceArea | 62.72 |
| Druglikeness | 1.8245 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[2-chloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide | 2 - 2-[2-chloro-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]-N-(2-fluorophenyl)acetamide