N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C13H6N3OF5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C13H6N3OF5 |
| Smiles | O=C(c1cnccc1)N/N=C\c(c(F)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C13H6F5N3O/c14-8-7(9(15)11(17)12(18)10(8)16)5-20-21-13(22)6-2-1-3-19-4-6/h1-5H,(H,21,22) |
| InChIK | GOBNCNDRIMWYBI-UHFFFAOYSA-N |
| TotalMolweight | 315.201 |
| Molweight | 315.201 |
| MonoisotopicMass | 315.043102 |
| CLogP | 2.7047 |
| CLogS | -4.496 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 217.5 |
| Relative PSA | 0.216 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 3.1287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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