N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(pyridin-2-ylmethyl)oxamide
Formula:C19H16N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(pyridin-2-ylmethyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-naphthalen-1-ylmethylideneamino]-N-(pyridin-2-ylmethyl)oxamide |
| MolecularFormula | C19H16N4O2 |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)NCc1ncccc1 |
| InChI | InChI=1S/C19H16N4O2/c24-18(21-13-16-9-3-4-11-20-16)19(25)23-22-12-15-8-5-7-14-6-1-2-10-17(14)15/h1-12H,13H2,(H,21,24)(H,23,25) |
| InChIK | BSWHBDMPGBZTOT-UHFFFAOYSA-N |
| TotalMolweight | 332.362 |
| Molweight | 332.362 |
| MonoisotopicMass | 332.127326 |
| CLogP | 2.1008 |
| CLogS | -4.176 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 263.32 |
| Relative PSA | 0.27146 |
| PolarSurfaceArea | 83.45 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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