Sesalin
Representations & DB's id
| ||
| ChEBI: | CHEBI:69040 | |
|---|---|---|
| ChEMBL: | CHEMBL71358 | |
| PubChem: | 68229 | |
| IUPAC: | 8,8-dimethylpyrano[2,3-f]chromen-2-one | |
| Standard InChI: | InChI=1S/C14H12O3/c1-14(2)8-7-10-11(17-14)5-3-9-4-6-12(15)16-13(9)10/h3-8H,1-2H3 | |
| Standard InChI Key: | QUVCQYQEIOLHFZ-UHFFFAOYSA-N | |
| SMILES: | CC1(C)C=Cc2c(O1)ccc1c2oc(=O)cc1 | |
Molecular propeties
| ||
| AlogP: | 2.98 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 228.08 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.214 | |
| Number of carbons: | 14 | |