(1Z)-N-(4-fluoroanilino)-2-oxo-2-[4-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
Formula:C16H9N3O2F4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-(4-fluoroanilino)-2-oxo-2-[4-(trifluoromethoxy)phenyl]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-fluoroanilino)-2-oxo-2-[4-(trifluoromethoxy)phenyl]ethanimidoyl cyanide |
| MolecularFormula | C16H9N3O2F4 |
| Smiles | N#C/C(/C(c(cc1)ccc1OC(F)(F)F)=O)=N/Nc(cc1)ccc1F |
| InChI | InChI=1S/C16H9F4N3O2/c17-11-3-5-12(6-4-11)22-23-14(9-21)15(24)10-1-7-13(8-2-10)25-16(18,19)20/h1-8,22H |
| InChIK | YZAKCSSJYKLYHU-UHFFFAOYSA-N |
| TotalMolweight | 351.258 |
| Molweight | 351.258 |
| MonoisotopicMass | 351.063089 |
| CLogP | 4.6256 |
| CLogS | -4.916 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.72 |
| Relative PSA | 0.23572 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -10.053 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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