N-naphthalen-1-yl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide
Formula:C26H21N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-naphthalen-1-yl-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C26H21N3O3 |
| Smiles | O=C(C(N/N=C\c1cc(OCc2ccccc2)ccc1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C26H21N3O3/c30-25(28-24-15-7-12-21-11-4-5-14-23(21)24)26(31)29-27-17-20-10-6-13-22(16-20)32-18-19-8-2-1-3-9-19/h1-17H,18H2,(H,28,30)(H,29,31) |
| InChIK | OZQMTOJDKOBTBH-UHFFFAOYSA-N |
| TotalMolweight | 423.471 |
| Molweight | 423.471 |
| MonoisotopicMass | 423.158292 |
| CLogP | 4.6864 |
| CLogS | -6.472 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.32 |
| Relative PSA | 0.21091 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | 3.3836 |
| Mutagenic | high |
| 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 | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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