N'-hydroxy-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanimidamide
Formula:C7H9N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanimidamide |
| MolecularFormula | C7H9N3O2S |
| Smiles | N/C(/CSc(cccc1)[n+]1[O-])=N/O |
| InChI | InChI=1S/C7H9N3O2S/c8-6(9-11)5-13-7-3-1-2-4-10(7)12/h1-4,11H,5H2,(H2,8,9) |
| InChIK | ZDIVUQYMDYFXEY-UHFFFAOYSA-N |
| TotalMolweight | 199.233 |
| Molweight | 199.233 |
| MonoisotopicMass | 199.041547 |
| CLogP | 0.2021 |
| CLogS | -3.974 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 144.4 |
| Relative PSA | 0.49605 |
| PolarSurfaceArea | 109.37 |
| Druglikeness | -2.18 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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