5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
Formula:C26H17NO2ClF3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide is not a drug-like molecule.
| MolName | 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C26H17NO2ClF3 |
| Smiles | O=C(c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1)Nc1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C26H17ClF3NO2/c27-22-13-10-19(26(28,29)30)16-21(22)23-14-15-24(33-23)25(32)31-20-11-8-18(9-12-20)7-6-17-4-2-1-3-5-17/h1-16H,(H,31,32) |
| InChIK | OEPBRWWUAGRWQZ-UHFFFAOYSA-N |
| TotalMolweight | 467.873 |
| Molweight | 467.873 |
| MonoisotopicMass | 467.08999 |
| CLogP | 7.4073 |
| CLogS | -8.238 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 342.82 |
| Relative PSA | 0.11262 |
| PolarSurfaceArea | 42.24 |
| Druglikeness | -4.4737 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide | 2 - 5-[2-chloro-5-(trifluoromethyl)phenyl]-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off