| MolName | 6-N-(4-fluorophenyl)-5-N-[(Z)-furan-2-ylmethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine |
| MolecularFormula | C15H10N7O2F |
| Smiles | Fc(cc1)ccc1Nc1nc2nonc2nc1N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H10FN7O2/c16-9-3-5-10(6-4-9)18-12-13(20-15-14(19-12)22-25-23-15)21-17-8-11-2-1-7-24-11/h1-8H,(H,18,19,22)(H,20,21,23) |
| InChIK | WLMSHBGICXOWNZ-UHFFFAOYSA-N |
| TotalMolweight | 339.289 |
| Molweight | 339.289 |
| MonoisotopicMass | 339.088001 |
| CLogP | 4.8783 |
| CLogS | -5.512 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 255.83 |
| Relative PSA | 0.41641 |
| PolarSurfaceArea | 114.26 |
| Druglikeness | 1.8325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - 6-N-(4-fluorophenyl)-5-N-[(Z)-furan-2-ylmethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine | 2 - 6-N-(4-fluorophenyl)-5-N-[(Z)-furan-2-ylmethylideneamino]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine