2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide
Formula:C8H10N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide |
| MolecularFormula | C8H10N3O2 |
| Smiles | NC(C[n+]1cc(/C=N\O)ccc1)=O |
| InChI | InChI=1S/C8H9N3O2/c9-8(12)6-11-3-1-2-7(5-11)4-10-13/h1-5H,6H2,(H2-,9,12,13)/p+1 |
| InChIK | ATNMOTQBQHVJQU-UHFFFAOYSA-O |
| TotalMolweight | 180.186 |
| Molweight | 180.186 |
| MonoisotopicMass | 180.077302 |
| CLogP | -4.1283 |
| CLogS | -0.739 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 141.7 |
| Relative PSA | 0.39294 |
| PolarSurfaceArea | 79.56 |
| Druglikeness | -0.38511 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide | 2 - 2-[3-[(Z)-hydroxyiminomethyl]pyridin-1-ium-1-yl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off