(E)-2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-(4-fluorophenyl)prop-2-enamide
Formula:C20H11N2O2Cl2F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C20H11N2O2Cl2F |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c1ccc(-c(c(Cl)ccc2)c2Cl)o1 |
| InChI | InChI=1S/C20H11Cl2FN2O2/c21-16-2-1-3-17(22)19(16)18-9-8-15(27-18)10-12(11-24)20(26)25-14-6-4-13(23)5-7-14/h1-10H,(H,25,26) |
| InChIK | BBAZWMXRKRHQBN-UHFFFAOYSA-N |
| TotalMolweight | 401.223 |
| Molweight | 401.223 |
| MonoisotopicMass | 400.01816 |
| CLogP | 5.24 |
| CLogS | -7.016 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 295.29 |
| Relative PSA | 0.17667 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -2.0433 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-(4-fluorophenyl)prop-2-enamide | 2 - (E)-2-cyano-3-[5-(2,6-dichlorophenyl)furan-2-yl]-N-(4-fluorophenyl)prop-2-enamide
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