N-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]benzamide
Formula:C17H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]benzamide is a drug-like molecule.
| MolName | N-[3-[(2Z)-2-benzylidenehydrazinyl]-3-oxopropyl]benzamide |
| MolecularFormula | C17H17N3O2 |
| Smiles | O=C(CCNC(c1ccccc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H17N3O2/c21-16(20-19-13-14-7-3-1-4-8-14)11-12-18-17(22)15-9-5-2-6-10-15/h1-10,13H,11-12H2,(H,18,22)(H,20,21) |
| InChIK | HHEXRGVAVNCFSD-UHFFFAOYSA-N |
| TotalMolweight | 295.341 |
| Molweight | 295.341 |
| MonoisotopicMass | 295.132077 |
| CLogP | 2.7397 |
| CLogS | -3.758 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 243.72 |
| Relative PSA | 0.24828 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 5.2788 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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