N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Formula:C13H11N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide |
| MolecularFormula | C13H11N3O2 |
| Smiles | NC(C(N/N=C\c1cccc2ccccc12)=O)=O |
| InChI | InChI=1S/C13H11N3O2/c14-12(17)13(18)16-15-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,14,17)(H,16,18) |
| InChIK | UMAGNYKCDYMLCL-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 1.2781 |
| CLogS | -3.708 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 188.1 |
| Relative PSA | 0.34195 |
| PolarSurfaceArea | 84.55 |
| Druglikeness | 2.2506 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Amides | 1 |
| StereoCon |
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