N-[4-(cyanomethyl)phenyl]-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
Formula:C15H12N4O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[4-(cyanomethyl)phenyl]-N'-[(Z)-furan-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-[4-(cyanomethyl)phenyl]-N'-[(Z)-furan-2-ylmethylideneamino]oxamide |
| MolecularFormula | C15H12N4O3 |
| Smiles | N#CCc(cc1)ccc1NC(C(N/N=C\c1ccco1)=O)=O |
| InChI | InChI=1S/C15H12N4O3/c16-8-7-11-3-5-12(6-4-11)18-14(20)15(21)19-17-10-13-2-1-9-22-13/h1-6,9-10H,7H2,(H,18,20)(H,19,21) |
| InChIK | XDZAWGSWIIDBKK-UHFFFAOYSA-N |
| TotalMolweight | 296.285 |
| Molweight | 296.285 |
| MonoisotopicMass | 296.090941 |
| CLogP | 1.3377 |
| CLogS | -3.858 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 241.36 |
| Relative PSA | 0.36535 |
| PolarSurfaceArea | 107.49 |
| Druglikeness | -3.7933 |
| Mutagenic | high |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-[4-(cyanomethyl)phenyl]-N'-[(Z)-furan-2-ylmethylideneamino]oxamide | 2 - N-[4-(cyanomethyl)phenyl]-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
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