N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
Formula:C22H17N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenylbenzohydrazide is a drug-like molecule.
| MolName | N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenylbenzohydrazide |
| MolecularFormula | C22H17N2O2F |
| Smiles | O=C(/C=C/c(cc1)ccc1F)NNC(c(cc1)ccc1-c1ccccc1)=O |
| InChI | InChI=1S/C22H17FN2O2/c23-20-13-6-16(7-14-20)8-15-21(26)24-25-22(27)19-11-9-18(10-12-19)17-4-2-1-3-5-17/h1-15H,(H,24,26)(H,25,27) |
| InChIK | DUCWJUMNMAPYRO-UHFFFAOYSA-N |
| TotalMolweight | 360.387 |
| Molweight | 360.387 |
| MonoisotopicMass | 360.127406 |
| CLogP | 3.7068 |
| CLogS | -6.08 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 284.05 |
| Relative PSA | 0.1725 |
| PolarSurfaceArea | 58.2 |
| Druglikeness | -0.72356 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenylbenzohydrazide | 2 - N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-4-phenylbenzohydrazide
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