| MolName | N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2,6-dichloropyridine-4-carboximidamide |
| MolecularFormula | C14H7N3O2Cl2F6S |
| Smiles | N/C(/c1cc(Cl)nc(Cl)c1)=N\S(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(=O)=O |
| InChI | InChI=1S/C14H7Cl2F6N3O2S/c15-10-1-6(2-11(16)24-10)12(23)25-28(26,27)9-4-7(13(17,18)19)3-8(5-9)14(20,21)22/h1-5H,(H2,23,25) |
| InChIK | RSMWWIABHLLQLE-UHFFFAOYSA-N |
| TotalMolweight | 466.189 |
| Molweight | 466.189 |
| MonoisotopicMass | 464.954019 |
| CLogP | 4.052 |
| CLogS | -4.556 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 281.61 |
| Relative PSA | 0.23554 |
| PolarSurfaceArea | 93.79 |
| Druglikeness | -23.926 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2,6-dichloropyridine-4-carboximidamide | 2 - N'-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-2,6-dichloropyridine-4-carboximidamide