(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C20H12NO2Cl2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-[5-(4-chlorophenyl)furan-2-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C20H12NO2Cl2F3 |
| Smiles | O=C(/C=C/c1ccc(-c(cc2)ccc2Cl)o1)Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C20H12Cl2F3NO2/c21-14-4-1-12(2-5-14)18-9-6-15(28-18)7-10-19(27)26-17-11-13(20(23,24)25)3-8-16(17)22/h1-11H,(H,26,27) |
| InChIK | VGLGLNHIYPRRJM-UHFFFAOYSA-N |
| TotalMolweight | 426.22 |
| Molweight | 426.22 |
| MonoisotopicMass | 425.019717 |
| CLogP | 6.1355 |
| CLogS | -7.208 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 298.48 |
| Relative PSA | 0.12936 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -6.088 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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