Chemical Name - 3-Acetyl Pyridine
Mol Weight - 121.139
Smiles - CC(c1cnccc1)=O
Mol Weight - 121.139
Smiles - CC(c1cnccc1)=O
| Property Value | |
| Mol Name | 3-Acetyl Pyridine |
| Molweight | 121.139 |
| Monoisotopic Mass | 121.052764 |
| Clogp | 0.5299 |
| Clogs | -1.505 |
| H Acceptors | 2 |
| Total Surface Area | 102.03 |
| Relative Psa | 0.23532 |
| Polar Surface Area | 29.96 |
| Druglikeness | -1.6695 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.66667 |
| Molecular Flexibility | 0.4098 |
| Molecular Complexity | 0.7083 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 1 |
| Aromatic Nitrogens | 1 |
| Smiles | CC(c1cnccc1)=O |
| InChIKey | InChI=1S/C7H7NO/c1-6(9)7-3-2-4-8-5-7/h2-5H,1H3 |
| InChI | WEGYGNROSJDEIW-UHFFFAOYSA-N |
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1 - 3-Acetyl Pyridine
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