1-(4-Methylphenyl)Ethanone
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL271871 | |
| PubChem: | 8500 | |
| IUPAC: | 1-(4-methylphenyl)ethanone | |
| Standard InChI: | InChI=1S/C9H10O/c1-7-3-5-9(6-4-7)8(2)10/h3-6H,1-2H3 | |
| Standard InChI Key: | GNKZMNRKLCTJAY-UHFFFAOYSA-N | |
| SMILES: | Cc1ccc(cc1)C(=O)C | |
Molecular propeties
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| AlogP: | 2.2 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 134.07 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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