| MolName | 2-(3-chlorophenoxy)-N'-[(6-chloropyridin-2-yl)amino]ethanimidamide |
| MolecularFormula | C13H12N4OCl2 |
| Smiles | N/C(/COc1cc(Cl)ccc1)=N/Nc1cccc(Cl)n1 |
| InChI | InChI=1S/C13H12Cl2N4O/c14-9-3-1-4-10(7-9)20-8-12(16)18-19-13-6-2-5-11(15)17-13/h1-7H,8H2,(H2,16,18)(H,17,19) |
| InChIK | NJGFHXPAGZHABZ-UHFFFAOYSA-N |
| TotalMolweight | 311.171 |
| Molweight | 311.171 |
| MonoisotopicMass | 310.038815 |
| CLogP | 4.2297 |
| CLogS | -3.659 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 229.33 |
| Relative PSA | 0.25819 |
| PolarSurfaceArea | 72.53 |
| Druglikeness | 0.56247 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-(3-chlorophenoxy)-N'-[(6-chloropyridin-2-yl)amino]ethanimidamide | 2 - 2-(3-chlorophenoxy)-N'-[(6-chloropyridin-2-yl)amino]ethanimidamide