| MolName | 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]urea |
| MolecularFormula | C10H9N6O2F |
| Smiles | Nc1nonc1NC(N/N=C/c(cccc1)c1F)=O |
| InChI | InChI=1S/C10H9FN6O2/c11-7-4-2-1-3-6(7)5-13-15-10(18)14-9-8(12)16-19-17-9/h1-5H,(H2,12,16)(H2,14,15,17,18) |
| InChIK | WEWFYPALYWMJBZ-UHFFFAOYSA-N |
| TotalMolweight | 264.219 |
| Molweight | 264.219 |
| MonoisotopicMass | 264.077102 |
| CLogP | 1.8331 |
| CLogS | -3.92 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 200.53 |
| Relative PSA | 0.49264 |
| PolarSurfaceArea | 118.43 |
| Druglikeness | 3.4903 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]urea | 2 - 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(2-fluorophenyl)methylideneamino]urea