(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C21H11N2O2Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C21H11N2O2Cl2F3 |
| Smiles | N#C/C(/C(Nc1cc(C(F)(F)F)ccc1)=O)=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1 |
| InChI | InChI=1S/C21H11Cl2F3N2O2/c22-15-6-12(7-16(23)10-15)19-5-4-18(30-19)8-13(11-27)20(29)28-17-3-1-2-14(9-17)21(24,25)26/h1-10H,(H,28,29) |
| InChIK | FOJLTACEJZFKCF-UHFFFAOYSA-N |
| TotalMolweight | 451.23 |
| Molweight | 451.23 |
| MonoisotopicMass | 450.014966 |
| CLogP | 5.9875 |
| CLogS | -7.48 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 318.4 |
| Relative PSA | 0.16385 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -7.8933 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - (E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-2-cyano-3-[5-(3,5-dichlorophenyl)furan-2-yl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
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