N-[(2E,4E)-1-oxo-5-phenyl-1-(2-phenylhydrazinyl)penta-2,4-dien-2-yl]benzamide
Formula:C24H21N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(2E,4E)-1-oxo-5-phenyl-1-(2-phenylhydrazinyl)penta-2,4-dien-2-yl]benzamide is not a drug-like molecule.
| MolName | N-[(2E,4E)-1-oxo-5-phenyl-1-(2-phenylhydrazinyl)penta-2,4-dien-2-yl]benzamide |
| MolecularFormula | C24H21N3O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\C=C\c1ccccc1)NNc1ccccc1 |
| InChI | InChI=1S/C24H21N3O2/c28-23(20-14-6-2-7-15-20)25-22(18-10-13-19-11-4-1-5-12-19)24(29)27-26-21-16-8-3-9-17-21/h1-18,26H,(H,25,28)(H,27,29) |
| InChIK | COXZIDZIDZOZEI-UHFFFAOYSA-N |
| TotalMolweight | 383.45 |
| Molweight | 383.45 |
| MonoisotopicMass | 383.163377 |
| CLogP | 5.5302 |
| CLogS | -4.795 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 313.87 |
| Relative PSA | 0.19263 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | 4.3766 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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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