N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-yloxamide
Formula:C17H13N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-furan-2-ylmethylideneamino]-N-naphthalen-1-yloxamide |
| MolecularFormula | C17H13N3O3 |
| Smiles | O=C(C(N/N=C\c1ccco1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C17H13N3O3/c21-16(17(22)20-18-11-13-7-4-10-23-13)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-11H,(H,19,21)(H,20,22) |
| InChIK | UTZPMPVEFPROFN-UHFFFAOYSA-N |
| TotalMolweight | 307.308 |
| Molweight | 307.308 |
| MonoisotopicMass | 307.095692 |
| CLogP | 2.527 |
| CLogS | -4.813 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 240.49 |
| Relative PSA | 0.31028 |
| PolarSurfaceArea | 83.7 |
| Druglikeness | 3.5055 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| StereoCon |
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