N-naphthalen-1-yl-N'-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide
Formula:C22H17N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-N'-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-naphthalen-1-yl-N'-[(Z)-(2-prop-2-ynoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C22H17N3O3 |
| Smiles | C#CCOc1c(/C=N\NC(C(Nc2cccc3ccccc23)=O)=O)cccc1 |
| InChI | InChI=1S/C22H17N3O3/c1-2-14-28-20-13-6-4-9-17(20)15-23-25-22(27)21(26)24-19-12-7-10-16-8-3-5-11-18(16)19/h1,3-13,15H,14H2,(H,24,26)(H,25,27) |
| InChIK | NUTXPMLHEYRBKC-UHFFFAOYSA-N |
| TotalMolweight | 371.395 |
| Molweight | 371.395 |
| MonoisotopicMass | 371.126992 |
| CLogP | 3.2955 |
| CLogS | -5.773 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 298.37 |
| Relative PSA | 0.23632 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.4045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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