Mol Weight - 181.151
Smiles - CC(Nc(cc1)ncc1[N+]([O-])=O)=O
| Property Name | Property Value |
| Mol Name | N-[5-Nitro-2-Pyridyl] Acetamide |
| Molweight | 181.151 |
| Monoisotopic Mass | 181.048742 |
| Clogp | -0.2078 |
| Clogs | -2.148 |
| H Acceptors | 6 |
| H Donors | 1 |
| Total Surface Area | 137.16 |
| Relative Psa | 0.48039 |
| Polar Surface Area | 87.81 |
| Druglikeness | -4.725 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.69231 |
| Molecular Flexibility | 0.42771 |
| Molecular Complexity | 0.66172 |
| Fragments | 1 |
| Non H Atoms | 13 |
| Non Ch Atoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bonds | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | CC(Nc(cc1)ncc1[N+]([O-])=O)=O |
| InChIKey | InChI=1S/C7H7N3O3/c1-5(11)9-7-3-2-6(4-8-7)10(12)13/h2-4H,1H3,(H,8,9,11) |
| InChI | XKAASKOXADTLIG-UHFFFAOYSA-N |
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1 — N-[5-Nitro-2-Pyridyl] Acetamide | 2 — N-[5-Nitro-2-Pyridyl] Acetamide