N-benzyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide
Formula:C14H13N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-furan-2-ylmethylideneamino]oxamide |
| MolecularFormula | C14H13N3O3 |
| Smiles | O=C(C(N/N=C\c1ccco1)=O)NCc1ccccc1 |
| InChI | InChI=1S/C14H13N3O3/c18-13(15-9-11-5-2-1-3-6-11)14(19)17-16-10-12-7-4-8-20-12/h1-8,10H,9H2,(H,15,18)(H,17,19) |
| InChIK | CVKVBKCCDYULQZ-UHFFFAOYSA-N |
| TotalMolweight | 271.275 |
| Molweight | 271.275 |
| MonoisotopicMass | 271.095692 |
| CLogP | 1.042 |
| CLogS | -3.023 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 219.65 |
| Relative PSA | 0.33972 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.8688 |
| 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 | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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