| MolName | 2-(2-bromo-4-chloroanilino)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide |
| MolecularFormula | C16H14N3OBr2Cl |
| Smiles | C/C(/c(cc1)ccc1Br)=N/NC(CNc(ccc(Cl)c1)c1Br)=O |
| InChI | InChI=1S/C16H14Br2ClN3O/c1-10(11-2-4-12(17)5-3-11)21-22-16(23)9-20-15-7-6-13(19)8-14(15)18/h2-8,20H,9H2,1H3,(H,22,23) |
| InChIK | XUEKEPORXBGLIH-UHFFFAOYSA-N |
| TotalMolweight | 459.568 |
| Molweight | 459.568 |
| MonoisotopicMass | 456.919211 |
| CLogP | 4.4878 |
| CLogS | -6.307 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 275.36 |
| Relative PSA | 0.17239 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 2.2016 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - 2-(2-bromo-4-chloroanilino)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide | 2 - 2-(2-bromo-4-chloroanilino)-N-[(Z)-1-(4-bromophenyl)ethylideneamino]acetamide