(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-thiophen-2-ylprop-2-enamide
Formula:C15H8N2OClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C15H8N2OClF3S |
| Smiles | N#C/C(/C(Nc(cc(C(F)(F)F)cc1)c1Cl)=O)=C\c1cccs1 |
| InChI | InChI=1S/C15H8ClF3N2OS/c16-12-4-3-10(15(17,18)19)7-13(12)21-14(22)9(8-20)6-11-2-1-5-23-11/h1-7H,(H,21,22) |
| InChIK | BRPFVEQKPQWXTP-UHFFFAOYSA-N |
| TotalMolweight | 356.755 |
| Molweight | 356.755 |
| MonoisotopicMass | 355.999794 |
| CLogP | 4.3092 |
| CLogS | -5.294 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 249.47 |
| Relative PSA | 0.23418 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | -7.3118 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.52174 |
| 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 |
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1 - (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-thiophen-2-ylprop-2-enamide | 2 - (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-cyano-3-thiophen-2-ylprop-2-enamide
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