Chemical Name - 3-Picoline-N-Oxide
Mol Weight - 109.128
Smiles - Cc1ccc[n+]([O-])c1
Mol Weight - 109.128
Smiles - Cc1ccc[n+]([O-])c1
| Property Value | |
| Mol Name | 3-Picoline-N-Oxide |
| Molweight | 109.128 |
| Monoisotopic Mass | 109.052764 |
| Clogp | 0.5271 |
| Clogs | -3.549 |
| H Acceptors | 2 |
| Total Surface Area | 87.57 |
| Relative Psa | 0.16284 |
| Polar Surface Area | 25.46 |
| Druglikeness | -4.009 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Aromatic Nitrogens | 1 |
| Acidic Oxygens | 1 |
| Smiles | Cc1ccc[n+]([O-])c1 |
| InChIKey | InChI=1S/C6H7NO/c1-6-3-2-4-7(8)5-6/h2-5H,1H3 |
| InChI | DMGGLIWGZFZLIY-UHFFFAOYSA-N |
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