(1E)-N-anilino-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide
Formula:C16H10N3O2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1E)-N-anilino-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide is a drug-like molecule.
| MolName | (1E)-N-anilino-2-oxo-2-[2-(trifluoromethoxy)phenyl]ethanimidoyl cyanide |
| MolecularFormula | C16H10N3O2F3 |
| Smiles | N#C/C(/C(c(cccc1)c1OC(F)(F)F)=O)=N\Nc1ccccc1 |
| InChI | InChI=1S/C16H10F3N3O2/c17-16(18,19)24-14-9-5-4-8-12(14)15(23)13(10-20)22-21-11-6-2-1-3-7-11/h1-9,21H |
| InChIK | FZEHEKCRHULDBS-UHFFFAOYSA-N |
| TotalMolweight | 333.268 |
| Molweight | 333.268 |
| MonoisotopicMass | 333.072511 |
| CLogP | 4.5248 |
| CLogS | -4.602 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 246.37 |
| Relative PSA | 0.24179 |
| PolarSurfaceArea | 74.48 |
| Druglikeness | -10.053 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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