N-(4-bromophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
Formula:C19H14N3O2Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-(4-bromophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(4-bromophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide |
| MolecularFormula | C19H14N3O2Br |
| Smiles | O=C(C(N/N=C\c1cccc2ccccc12)=O)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C19H14BrN3O2/c20-15-8-10-16(11-9-15)22-18(24)19(25)23-21-12-14-6-3-5-13-4-1-2-7-17(13)14/h1-12H,(H,22,24)(H,23,25) |
| InChIK | BBWCYUCIRXMVBE-UHFFFAOYSA-N |
| TotalMolweight | 396.243 |
| Molweight | 396.243 |
| MonoisotopicMass | 395.026938 |
| CLogP | 4.0635 |
| CLogS | -5.965 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 269.43 |
| Relative PSA | 0.22459 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.9578 |
| 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 | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N-(4-bromophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide | 2 - N-(4-bromophenyl)-N'-[(Z)-naphthalen-1-ylmethylideneamino]oxamide
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