Isoscopoletin
Representations & DB's id
| ||
| ChEBI: | CHEBI:81484 | |
|---|---|---|
| ChEMBL: | CHEMBL390320 | |
| PubChem: | 69894 | |
| IUPAC: | 6-hydroxy-7-methoxychromen-2-one | |
| Standard InChI: | InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3 | |
| Standard InChI Key: | SYTYLPHCLSSCOJ-UHFFFAOYSA-N | |
| SMILES: | COc1cc2oc(=O)ccc2cc1O | |
Molecular propeties
| ||
| AlogP: | 1.51 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 2 | |
| Molecular Weight: | 192.04 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.1 | |
| Number of carbons: | 10 | |