Chemical Name - 2 Acetyl Thiophene
Mol Weight - 126.179
Smiles - CC(c1cccs1)=O
Mol Weight - 126.179
Smiles - CC(c1cccs1)=O
| Property Value | |
| Mol Name | 2 Acetyl Thiophene |
| Molweight | 126.179 |
| Monoisotopic Mass | 126.013935 |
| Clogp | 1.3974 |
| Clogs | -2.31 |
| H Acceptors | 1 |
| Total Surface Area | 99.21 |
| Relative Psa | 0.33666 |
| Polar Surface Area | 45.31 |
| Druglikeness | 1.5398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.625 |
| Molecular Flexibility | 0.17548 |
| Molecular Complexity | 0.69315 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bonds | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3 Atoms | 1 |
| Smiles | CC(c1cccs1)=O |
| InChIKey | InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3 |
| InChI | WYJOVVXUZNRJQY-UHFFFAOYSA-N |
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1 - 2 Acetyl Thiophene
2 - 2 Acetyl Thiophene
1 - 2 Acetyl Thiophene
2 - 2 Acetyl Thiophene
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