(2Z)-N-[4-(trifluoromethoxy)anilino]pyridine-2-carboximidoyl cyanide
Formula:C14H9N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-N-[4-(trifluoromethoxy)anilino]pyridine-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2Z)-N-[4-(trifluoromethoxy)anilino]pyridine-2-carboximidoyl cyanide |
| MolecularFormula | C14H9N4OF3 |
| Smiles | N#C/C(/c1ncccc1)=N\Nc(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C14H9F3N4O/c15-14(16,17)22-11-6-4-10(5-7-11)20-21-13(9-18)12-3-1-2-8-19-12/h1-8,20H |
| InChIK | IEMAJKQWIJRPDA-UHFFFAOYSA-N |
| TotalMolweight | 306.246 |
| Molweight | 306.246 |
| MonoisotopicMass | 306.072845 |
| CLogP | 4.1765 |
| CLogS | -3.909 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.38 |
| Relative PSA | 0.25288 |
| PolarSurfaceArea | 70.3 |
| Druglikeness | -11.216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (2Z)-N-[4-(trifluoromethoxy)anilino]pyridine-2-carboximidoyl cyanide | 2 - (2Z)-N-[4-(trifluoromethoxy)anilino]pyridine-2-carboximidoyl cyanide
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