| MolName | 4-amino-N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C17H15N6O2F |
| Smiles | N/C(/c1nonc1N)=N/N=C\c(cc1)ccc1OCc(cccc1)c1F |
| InChI | InChI=1S/C17H15FN6O2/c18-14-4-2-1-3-12(14)10-25-13-7-5-11(6-8-13)9-21-22-16(19)15-17(20)24-26-23-15/h1-9H,10H2,(H2,19,22)(H2,20,24) |
| InChIK | FNBBYCDYHYDRGK-UHFFFAOYSA-N |
| TotalMolweight | 354.344 |
| Molweight | 354.344 |
| MonoisotopicMass | 354.124052 |
| CLogP | 3.6279 |
| CLogS | -4.42 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 274.87 |
| Relative PSA | 0.36239 |
| PolarSurfaceArea | 124.91 |
| Druglikeness | 0.78199 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-amino-N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide