1-Naphthalen-2-Ylethanone
Representations & DB's id
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| ChEBI: | CHEBI:52364 | |
|---|---|---|
| ChEMBL: | CHEMBL3183700 | |
| PubChem: | 7122 | |
| IUPAC: | 1-naphthalen-2-ylethanone | |
| Standard InChI: | InChI=1S/C12H10O/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-8H,1H3 | |
| Standard InChI Key: | XSAYZAUNJMRRIR-UHFFFAOYSA-N | |
| SMILES: | CC(=O)c1ccc2c(c1)cccc2 | |
Molecular propeties
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| AlogP: | 3.04 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 170.07 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.083 | |
| Number of carbons: | 12 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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