(2E)-N-(4-fluoroanilino)pyridine-2-carboximidoyl cyanide
Formula:C13H9N4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-N-(4-fluoroanilino)pyridine-2-carboximidoyl cyanide is a drug-like molecule.
| MolName | (2E)-N-(4-fluoroanilino)pyridine-2-carboximidoyl cyanide |
| MolecularFormula | C13H9N4F |
| Smiles | N#C/C(/c1ncccc1)=N/Nc(cc1)ccc1F |
| InChI | InChI=1S/C13H9FN4/c14-10-4-6-11(7-5-10)17-18-13(9-15)12-3-1-2-8-16-12/h1-8,17H |
| InChIK | TXFASQRLPRLJBM-UHFFFAOYSA-N |
| TotalMolweight | 240.24 |
| Molweight | 240.24 |
| MonoisotopicMass | 240.081124 |
| CLogP | 3.1783 |
| CLogS | -3.2 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 194.27 |
| Relative PSA | 0.24451 |
| PolarSurfaceArea | 61.07 |
| Druglikeness | -4.336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2E)-N-(4-fluoroanilino)pyridine-2-carboximidoyl cyanide | 2 - (2E)-N-(4-fluoroanilino)pyridine-2-carboximidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off