N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenyloxamide
Formula:C16H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenyloxamide |
| MolecularFormula | C16H12N4O2 |
| Smiles | N#Cc1ccc(/C=N\NC(C(Nc2ccccc2)=O)=O)cc1 |
| InChI | InChI=1S/C16H12N4O2/c17-10-12-6-8-13(9-7-12)11-18-20-16(22)15(21)19-14-4-2-1-3-5-14/h1-9,11H,(H,19,21)(H,20,22) |
| InChIK | KYFIQAQNUKOTKD-UHFFFAOYSA-N |
| TotalMolweight | 292.297 |
| Molweight | 292.297 |
| MonoisotopicMass | 292.096026 |
| CLogP | 1.9795 |
| CLogS | -4.298 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 237.91 |
| Relative PSA | 0.31134 |
| PolarSurfaceArea | 94.35 |
| Druglikeness | -0.53216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenyloxamide | 2 - N'-[(Z)-(4-cyanophenyl)methylideneamino]-N-phenyloxamide
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