(E)-3-(5-chlorothiophen-2-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C15H8N2OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(5-chlorothiophen-2-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(5-chlorothiophen-2-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C15H8N2OClF3S |
| Smiles | N#C/C(/C(Nc1cc(C(F)(F)F)ccc1)=O)=C\c(s1)ccc1Cl |
| InChI | InChI=1S/C15H8ClF3N2OS/c16-13-5-4-12(23-13)6-9(8-20)14(22)21-11-3-1-2-10(7-11)15(17,18)19/h1-7H,(H,21,22) |
| InChIK | SWVQJAJPVQKOMD-UHFFFAOYSA-N |
| TotalMolweight | 356.755 |
| Molweight | 356.755 |
| MonoisotopicMass | 355.999794 |
| CLogP | 4.5139 |
| CLogS | -5.311 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.47 |
| Relative PSA | 0.23418 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -7.7079 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(5-chlorothiophen-2-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide | 2 - (E)-3-(5-chlorothiophen-2-yl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off