N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-4-carboxamide
Formula:C13H9N3OF2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C13H9N3OF2 |
| Smiles | O=C(c1ccncc1)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C13H9F2N3O/c14-11-2-1-3-12(15)10(11)8-17-18-13(19)9-4-6-16-7-5-9/h1-8H,(H,18,19) |
| InChIK | FSPNIWANBAJRDJ-UHFFFAOYSA-N |
| TotalMolweight | 261.23 |
| Molweight | 261.23 |
| MonoisotopicMass | 261.071368 |
| CLogP | 2.4023 |
| CLogS | -3.554 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 198.45 |
| Relative PSA | 0.23673 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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