(1E)-2-oxo-2-thiophen-2-yl-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide
Formula:C14H8N3OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1E)-2-oxo-2-thiophen-2-yl-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-2-oxo-2-thiophen-2-yl-N-[3-(trifluoromethyl)anilino]ethanimidoyl cyanide |
| MolecularFormula | C14H8N3OF3S |
| Smiles | N#C/C(/C(c1cccs1)=O)=N\Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C14H8F3N3OS/c15-14(16,17)9-3-1-4-10(7-9)19-20-11(8-18)13(21)12-5-2-6-22-12/h1-7,19H |
| InChIK | CUEBOTREOXPNPE-UHFFFAOYSA-N |
| TotalMolweight | 323.298 |
| Molweight | 323.298 |
| MonoisotopicMass | 323.034016 |
| CLogP | 4.1407 |
| CLogS | -4.367 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.31 |
| Relative PSA | 0.30102 |
| PolarSurfaceArea | 93.49 |
| Druglikeness | -6.992 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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