N-naphthalen-1-yl-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide
Formula:C19H14N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-naphthalen-1-yl-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-naphthalen-1-yl-N'-[(Z)-(4-nitrophenyl)methylideneamino]oxamide |
| MolecularFormula | C19H14N4O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(C(Nc2cccc3ccccc23)=O)=O)cc1)=O |
| InChI | InChI=1S/C19H14N4O4/c24-18(21-17-7-3-5-14-4-1-2-6-16(14)17)19(25)22-20-12-13-8-10-15(11-9-13)23(26)27/h1-12H,(H,21,24)(H,22,25) |
| InChIK | HEBXCQKDFMKUNC-UHFFFAOYSA-N |
| TotalMolweight | 362.344 |
| Molweight | 362.344 |
| MonoisotopicMass | 362.101506 |
| CLogP | 2.4167 |
| CLogS | -5.591 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 274.47 |
| Relative PSA | 0.33129 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -1.4058 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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