Orobol
Representations & DB's id
| ||
| ChEBI: | CHEBI:69437 | |
|---|---|---|
| ChEMBL: | CHEMBL241609 | |
| PubChem: | 5281801 | |
| IUPAC: | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one | |
| Standard InChI: | InChI=1S/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H | |
| Standard InChI Key: | IOYHCQBYQJQBSK-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)occ(c2=O)c1ccc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 2.28 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 286.05 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 15 | |