| MolName | 2-[4-[(Z)-2-(4-bromophenyl)-2-cyanoethenyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide |
| MolecularFormula | C23H15N2O2BrClF |
| Smiles | N#C/C(/c(cc1)ccc1Br)=C\c(cc1)cc(Cl)c1OCC(Nc(cccc1)c1F)=O |
| InChI | InChI=1S/C23H15BrClFN2O2/c24-18-8-6-16(7-9-18)17(13-27)11-15-5-10-22(19(25)12-15)30-14-23(29)28-21-4-2-1-3-20(21)26/h1-12H,14H2,(H,28,29) |
| InChIK | OGAZXFRNTXKYQE-UHFFFAOYSA-N |
| TotalMolweight | 485.739 |
| Molweight | 485.739 |
| MonoisotopicMass | 483.998944 |
| CLogP | 5.487 |
| CLogS | -6.805 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 332.57 |
| Relative PSA | 0.14451 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -6.0277 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-2-(4-bromophenyl)-2-cyanoethenyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide | 2 - 2-[4-[(Z)-2-(4-bromophenyl)-2-cyanoethenyl]-2-chlorophenoxy]-N-(2-fluorophenyl)acetamide