N'-[(Z)-benzylideneamino]-N-(3-bromophenyl)oxamide
Formula:C15H12N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-benzylideneamino]-N-(3-bromophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-benzylideneamino]-N-(3-bromophenyl)oxamide |
| MolecularFormula | C15H12N3O2Br |
| Smiles | O=C(C(N/N=C\c1ccccc1)=O)Nc1cccc(Br)c1 |
| InChI | InChI=1S/C15H12BrN3O2/c16-12-7-4-8-13(9-12)18-14(20)15(21)19-17-10-11-5-2-1-3-6-11/h1-10H,(H,18,20)(H,19,21) |
| InChIK | NMVHIAHFNQOKDA-UHFFFAOYSA-N |
| TotalMolweight | 346.183 |
| Molweight | 346.183 |
| MonoisotopicMass | 345.011288 |
| CLogP | 2.8691 |
| CLogS | -4.359 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 234.83 |
| Relative PSA | 0.25768 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.9578 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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