N-(2-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
Formula:C15H12N3O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide |
| MolecularFormula | C15H12N3O3Br |
| Smiles | Oc1cccc(/C=N\NC(C(Nc(cccc2)c2Br)=O)=O)c1 |
| InChI | InChI=1S/C15H12BrN3O3/c16-12-6-1-2-7-13(12)18-14(21)15(22)19-17-9-10-4-3-5-11(20)8-10/h1-9,20H,(H,18,21)(H,19,22) |
| InChIK | XYBKEKNWGJTSKY-UHFFFAOYSA-N |
| TotalMolweight | 362.182 |
| Molweight | 362.182 |
| MonoisotopicMass | 361.006203 |
| CLogP | 2.5234 |
| CLogS | -4.063 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 241.18 |
| Relative PSA | 0.30521 |
| PolarSurfaceArea | 90.79 |
| Druglikeness | 1.9254 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63636 |
| 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 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-(2-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide | 2 - N-(2-bromophenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
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