N'-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]oxamide
Formula:C14H18N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-piperidin-1-ylphenyl)methylideneamino]oxamide |
| MolecularFormula | C14H18N4O2 |
| Smiles | NC(C(N/N=C\c(cc1)ccc1N1CCCCC1)=O)=O |
| InChI | InChI=1S/C14H18N4O2/c15-13(19)14(20)17-16-10-11-4-6-12(7-5-11)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9H2,(H2,15,19)(H,17,20) |
| InChIK | UDDJBMNQLMHJND-UHFFFAOYSA-N |
| TotalMolweight | 274.323 |
| Molweight | 274.323 |
| MonoisotopicMass | 274.142976 |
| CLogP | 0.9167 |
| CLogS | -3.094 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 219.1 |
| Relative PSA | 0.30977 |
| PolarSurfaceArea | 87.79 |
| Druglikeness | 2.0447 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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