N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-phenyloxamide
Formula:C19H15N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-phenyloxamide is a drug-like molecule.
| MolName | N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-phenyloxamide |
| MolecularFormula | C19H15N3O2 |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)Nc1ccccc1 |
| InChI | InChI=1S/C19H15N3O2/c23-18(21-16-10-2-1-3-11-16)19(24)22-20-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-13H,(H,21,23)(H,22,24) |
| InChIK | KPEBMDDQLJROSJ-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 3.3383 |
| CLogS | -5.131 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.8 |
| Relative PSA | 0.24127 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.7478 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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