N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
Formula:C15H11N3O2BrF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide |
| MolecularFormula | C15H11N3O2BrF |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1Br)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C15H11BrFN3O2/c16-11-3-1-10(2-4-11)9-18-20-15(22)14(21)19-13-7-5-12(17)6-8-13/h1-9H,(H,19,21)(H,20,22) |
| InChIK | VIEJQOFWODADDS-UHFFFAOYSA-N |
| TotalMolweight | 364.173 |
| Molweight | 364.173 |
| MonoisotopicMass | 363.001866 |
| CLogP | 2.9699 |
| CLogS | -4.673 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.18 |
| Relative PSA | 0.25089 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 0.61784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide | 2 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
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