N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridin-2-amine
Formula:C12H6N3F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C12H6N3F5 |
| Smiles | Fc(c(/C=N\Nc1ncccc1)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C12H6F5N3/c13-8-6(9(14)11(16)12(17)10(8)15)5-19-20-7-3-1-2-4-18-7/h1-5H,(H,18,20) |
| InChIK | CQTFMYJQFGWBSI-UHFFFAOYSA-N |
| TotalMolweight | 287.191 |
| Molweight | 287.191 |
| MonoisotopicMass | 287.048187 |
| CLogP | 4.6954 |
| CLogS | -4.449 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 199.75 |
| Relative PSA | 0.16991 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.0825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridin-2-amine | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]pyridin-2-amine
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