N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide
Formula:C15H11N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide |
| MolecularFormula | C15H11N3O2BrCl |
| Smiles | O=C(C(N/N=C\c(cc1)ccc1Br)=O)Nc1cc(Cl)ccc1 |
| InChI | InChI=1S/C15H11BrClN3O2/c16-11-6-4-10(5-7-11)9-18-20-15(22)14(21)19-13-3-1-2-12(17)8-13/h1-9H,(H,19,21)(H,20,22) |
| InChIK | FZQMUPYKJXSHRH-UHFFFAOYSA-N |
| TotalMolweight | 380.628 |
| Molweight | 380.628 |
| MonoisotopicMass | 378.972315 |
| CLogP | 3.4751 |
| CLogS | -5.095 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 250.25 |
| Relative PSA | 0.2418 |
| PolarSurfaceArea | 70.56 |
| Druglikeness | 1.97 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68182 |
| 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 | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide | 2 - N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide
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