N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
Formula:C16H7N6F5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine |
| MolecularFormula | C16H7N6F5 |
| Smiles | Fc(c(/C=N\Nc1nc(cccc2)c2n2c1nnc2)c(c(F)c1F)F)c1F |
| InChI | InChI=1S/C16H7F5N6/c17-10-7(11(18)13(20)14(21)12(10)19)5-22-25-15-16-26-23-6-27(16)9-4-2-1-3-8(9)24-15/h1-6H,(H,24,25) |
| InChIK | CNBMANHQKNAAOC-UHFFFAOYSA-N |
| TotalMolweight | 378.264 |
| Molweight | 378.264 |
| MonoisotopicMass | 378.065234 |
| CLogP | 4.687 |
| CLogS | -7.261 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.12 |
| Relative PSA | 0.24825 |
| PolarSurfaceArea | 67.47 |
| Druglikeness | 2.475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine | 2 - N-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
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