N'-hydroxy-2-pyridin-1-ium-1-ylethanimidamide
Formula:C7H10N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-hydroxy-2-pyridin-1-ium-1-ylethanimidamide is a drug-like molecule.
| MolName | N'-hydroxy-2-pyridin-1-ium-1-ylethanimidamide |
| MolecularFormula | C7H10N3O |
| Smiles | N/C(/C[n+]1ccccc1)=N\O |
| InChI | InChI=1S/C7H9N3O/c8-7(9-11)6-10-4-2-1-3-5-10/h1-5H,6H2,(H2-,8,9,11)/p+1 |
| InChIK | CPRJRHKBPHENBV-UHFFFAOYSA-O |
| TotalMolweight | 152.176 |
| Molweight | 152.176 |
| MonoisotopicMass | 152.082387 |
| CLogP | -4.0616 |
| CLogS | -0.415 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 122.16 |
| Relative PSA | 0.34905 |
| PolarSurfaceArea | 62.49 |
| Druglikeness | -1.9177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 11 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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