| MolName | 4-amino-N'-[(3,4-dichlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide |
| MolecularFormula | C10H9N5O2Cl2 |
| Smiles | N/C(/c1nonc1N)=N/OCc(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C10H9Cl2N5O2/c11-6-2-1-5(3-7(6)12)4-18-16-9(13)8-10(14)17-19-15-8/h1-3H,4H2,(H2,13,16)(H2,14,17) |
| InChIK | XTTPIUGTWLYEOX-UHFFFAOYSA-N |
| TotalMolweight | 302.12 |
| Molweight | 302.12 |
| MonoisotopicMass | 301.013329 |
| CLogP | 2.4411 |
| CLogS | -3.747 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 214.84 |
| Relative PSA | 0.41007 |
| PolarSurfaceArea | 112.55 |
| Druglikeness | 0.93577 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-amino-N'-[(3,4-dichlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide | 2 - 4-amino-N'-[(3,4-dichlorophenyl)methoxy]-1,2,5-oxadiazole-3-carboximidamide