Norathyriol
Representations & DB's id
| ||
| ChEBI: | CHEBI:7622 | |
|---|---|---|
| ChEMBL: | CHEMBL187265 | |
| PubChem: | 5281656 | |
| IUPAC: | 1,3,6,7-tetrahydroxyxanthen-9-one | |
| Standard InChI: | InChI=1S/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H | |
| Standard InChI Key: | ZHTQCPCDXKMMLU-UHFFFAOYSA-N | |
| SMILES: | Oc1cc(O)c2c(c1)oc1c(c2=O)cc(c(c1)O)O | |
Molecular propeties
| ||
| AlogP: | 1.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 260.03 | |
| Topological polar surface area: | 107 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 13 | |