N-naphthalen-1-yl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide
Formula:C21H17N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide is a drug-like molecule.
| MolName | N-naphthalen-1-yl-N'-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]oxamide |
| MolecularFormula | C21H17N3O2 |
| Smiles | O=C(C(N/N=C\C=C\c1ccccc1)=O)Nc1cccc2ccccc12 |
| InChI | InChI=1S/C21H17N3O2/c25-20(23-19-14-6-12-17-11-4-5-13-18(17)19)21(26)24-22-15-7-10-16-8-2-1-3-9-16/h1-15H,(H,23,25)(H,24,26) |
| InChIK | GHAJINDWTJFAQA-UHFFFAOYSA-N |
| TotalMolweight | 343.385 |
| Molweight | 343.385 |
| MonoisotopicMass | 343.132077 |
| CLogP | 3.3566 |
| CLogS | -5.423 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 277.3 |
| Relative PSA | 0.21821 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 3.7552 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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