N-[(2Z,4E)-1-[(2Z)-2-benzylidenehydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
Formula:C25H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(2Z,4E)-1-[(2Z)-2-benzylidenehydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(2Z,4E)-1-[(2Z)-2-benzylidenehydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C25H21N3O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/C=C/c1ccccc1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C25H21N3O2/c29-24(22-16-8-3-9-17-22)27-23(18-10-15-20-11-4-1-5-12-20)25(30)28-26-19-21-13-6-2-7-14-21/h1-19H,(H,27,29)(H,28,30) |
| InChIK | XPVOTNMXRYPFRC-UHFFFAOYSA-N |
| TotalMolweight | 395.461 |
| Molweight | 395.461 |
| MonoisotopicMass | 395.163377 |
| CLogP | 5.4749 |
| CLogS | -5.778 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 327.17 |
| Relative PSA | 0.18495 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 6.4871 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - N-[(2Z,4E)-1-[(2Z)-2-benzylidenehydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide | 2 - N-[(2Z,4E)-1-[(2Z)-2-benzylidenehydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
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