Phenylacetaldehyde
Representations & DB's id
| ||
| ChEBI: | CHEBI:16424 | |
|---|---|---|
| ChEMBL: | CHEMBL1233464 | |
| PubChem: | 998 | |
| IUPAC: | 2-phenylacetaldehyde | |
| Standard InChI: | InChI=1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2 | |
| Standard InChI Key: | DTUQWGWMVIHBKE-UHFFFAOYSA-N | |
| SMILES: | O=CCc1ccccc1 | |
Molecular propeties
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| AlogP: | 1.43 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 120.06 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 8 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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