N-benzyl-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Formula:C20H17N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-benzyl-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-benzyl-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide |
| MolecularFormula | C20H17N3O2 |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)NCc1ccccc1 |
| InChI | InChI=1S/C20H17N3O2/c24-19(21-13-15-7-2-1-3-8-15)20(25)23-22-14-17-11-6-10-16-9-4-5-12-18(16)17/h1-12,14H,13H2,(H,21,24)(H,23,25) |
| InChIK | JJRIYXARQTXEDB-UHFFFAOYSA-N |
| TotalMolweight | 331.374 |
| Molweight | 331.374 |
| MonoisotopicMass | 331.132077 |
| CLogP | 3.0477 |
| CLogS | -4.947 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 264.56 |
| Relative PSA | 0.22872 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 4.0479 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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