| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H10N2O2BrCl3 |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H10BrCl3N2O2/c16-12-5-10(17)3-4-14(12)23-8-15(22)21-20-7-9-1-2-11(18)6-13(9)19/h1-7H,8H2,(H,21,22) |
| InChIK | TVRMULZMNNDEEJ-UHFFFAOYSA-N |
| TotalMolweight | 436.519 |
| Molweight | 436.519 |
| MonoisotopicMass | 433.89912 |
| CLogP | 5.3197 |
| CLogS | -6.543 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 275.64 |
| Relative PSA | 0.16692 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.4378 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]acetamide