| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H11N3O5BrCl |
| Smiles | [O-][N+](c(cc1)c(/C=N\NC(COc(ccc(Cl)c2)c2Br)=O)cc1O)=O |
| InChI | InChI=1S/C15H11BrClN3O5/c16-12-6-10(17)1-4-14(12)25-8-15(22)19-18-7-9-5-11(21)2-3-13(9)20(23)24/h1-7,21H,8H2,(H,19,22) |
| InChIK | KRYNYMFZLSVYFS-UHFFFAOYSA-N |
| TotalMolweight | 428.625 |
| Molweight | 428.625 |
| MonoisotopicMass | 426.95706 |
| CLogP | 2.8404 |
| CLogS | -5.235 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 274.82 |
| Relative PSA | 0.32578 |
| PolarSurfaceArea | 116.74 |
| Druglikeness | -2.6779 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide