N-[(Z)-3-phenylpropylideneamino]benzamide
Formula:C16H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-phenylpropylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-3-phenylpropylideneamino]benzamide |
| MolecularFormula | C16H16N2O |
| Smiles | O=C(c1ccccc1)N/N=C\CCc1ccccc1 |
| InChI | InChI=1S/C16H16N2O/c19-16(15-11-5-2-6-12-15)18-17-13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-13H,7,10H2,(H,18,19) |
| InChIK | YQBFBHSIZYCIDT-UHFFFAOYSA-N |
| TotalMolweight | 252.316 |
| Molweight | 252.316 |
| MonoisotopicMass | 252.126263 |
| CLogP | 3.3432 |
| CLogS | -3.878 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 214.51 |
| Relative PSA | 0.16787 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 3.2723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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