1-Thiophen-2-Ylethanone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL401911 | |
| PubChem: | 6920 | |
| IUPAC: | 1-thiophen-2-ylethanone | |
| Standard InChI: | InChI=1S/C6H6OS/c1-5(7)6-3-2-4-8-6/h2-4H,1H3 | |
| Standard InChI Key: | WYJOVVXUZNRJQY-UHFFFAOYSA-N | |
| SMILES: | CC(=O)c1cccs1 | |
Molecular propeties
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| AlogP: | 1.95 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 126.01 | |
| Topological polar surface area: | 45.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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