(1Z)-2-oxo-2-thiophen-3-yl-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide
Formula:C14H8N3O2F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-2-oxo-2-thiophen-3-yl-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-2-oxo-2-thiophen-3-yl-N-[4-(trifluoromethoxy)anilino]ethanimidoyl cyanide |
| MolecularFormula | C14H8N3O2F3S |
| Smiles | N#C/C(/C(c1cscc1)=O)=N/Nc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C14H8F3N3O2S/c15-14(16,17)22-11-3-1-10(2-4-11)19-20-12(7-18)13(21)9-5-6-23-8-9/h1-6,8,19H |
| InChIK | LVVCFHPYBUZBBP-UHFFFAOYSA-N |
| TotalMolweight | 339.297 |
| Molweight | 339.297 |
| MonoisotopicMass | 339.028931 |
| CLogP | 4.3092 |
| CLogS | -4.502 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 242.31 |
| Relative PSA | 0.32987 |
| PolarSurfaceArea | 102.72 |
| Druglikeness | -9.3917 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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