N-[(E)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
Formula:C23H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide |
| MolecularFormula | C23H19N3O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C23H19N3O2/c27-22(20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)23(28)26-24-17-19-12-6-2-7-13-19/h1-17H,(H,25,27)(H,26,28) |
| InChIK | DLMPMANAKRHMHZ-UHFFFAOYSA-N |
| TotalMolweight | 369.423 |
| Molweight | 369.423 |
| MonoisotopicMass | 369.147727 |
| CLogP | 4.8183 |
| CLogS | -5.466 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.67 |
| Relative PSA | 0.20125 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 6.3946 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[(E)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide | 2 - N-[(E)-3-[(2Z)-2-benzylidenehydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
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