Apocynin
Representations & DB's id
| ||
| ChEBI: | CHEBI:2781 | |
|---|---|---|
| ChEMBL: | CHEMBL346919 | |
| PubChem: | 2214 | |
| IUPAC: | 1-(4-hydroxy-3-methoxyphenyl)ethanone | |
| Standard InChI: | InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3 | |
| Standard InChI Key: | DFYRUELUNQRZTB-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1O)C(=O)C | |
Molecular propeties
| ||
| AlogP: | 1.6 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 166.06 | |
| Topological polar surface area: | 46.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |