N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide
Formula:C6H7N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide is a drug-like molecule.
| MolName | N'-hydroxy-1-oxidopyridin-1-ium-3-carboximidamide |
| MolecularFormula | C6H7N3O2 |
| Smiles | N/C(/c1c[n+]([O-])ccc1)=N/O |
| InChI | InChI=1S/C6H7N3O2/c7-6(8-10)5-2-1-3-9(11)4-5/h1-4,10H,(H2,7,8) |
| InChIK | QRGUYOXSVWPAGG-UHFFFAOYSA-N |
| TotalMolweight | 153.141 |
| Molweight | 153.141 |
| MonoisotopicMass | 153.053827 |
| CLogP | -0.1081 |
| CLogS | -3.669 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 113.15 |
| Relative PSA | 0.47848 |
| PolarSurfaceArea | 84.07 |
| Druglikeness | -3.0222 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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