N'-[(Z)-(4-cyanophenyl)methylideneamino]oxamide
Formula:C10H8N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-cyanophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-cyanophenyl)methylideneamino]oxamide |
| MolecularFormula | C10H8N4O2 |
| Smiles | NC(C(N/N=C\c(cc1)ccc1C#N)=O)=O |
| InChI | InChI=1S/C10H8N4O2/c11-5-7-1-3-8(4-2-7)6-13-14-10(16)9(12)15/h1-4,6H,(H2,12,15)(H,14,16) |
| InChIK | ZDSOEGJXRJYUKC-UHFFFAOYSA-N |
| TotalMolweight | 216.2 |
| Molweight | 216.2 |
| MonoisotopicMass | 216.064726 |
| CLogP | -0.0807 |
| CLogS | -2.875 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 175.21 |
| Relative PSA | 0.4445 |
| PolarSurfaceArea | 108.34 |
| Druglikeness | -2.0294 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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