| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N2O3BrCl2 |
| Smiles | COc(cc(C=NNC(COc(ccc(Cl)c1)c1Br)=O)cc1)c1Cl |
| InChI | InChI=1S/C16H13BrCl2N2O3/c1-23-15-6-10(2-4-13(15)19)8-20-21-16(22)9-24-14-5-3-11(18)7-12(14)17/h2-8H,9H2,1H3,(H,21,22) |
| InChIK | VXXJPZTVXBTMGY-UHFFFAOYSA-N |
| TotalMolweight | 432.1 |
| Molweight | 432.1 |
| MonoisotopicMass | 429.948658 |
| CLogP | 4.6437 |
| CLogS | -5.825 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 282.48 |
| Relative PSA | 0.19828 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 2.449 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(4-chloro-3-methoxyphenyl)methylideneamino]acetamide