Bonducellin
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL450675 | |
| PubChem: | 14079439 | |
| IUPAC: | (3E)-7-hydroxy-3-[(4-methoxyphenyl)methylidene]chromen-4-one | |
| Standard InChI: | InChI=1S/C17H14O4/c1-20-14-5-2-11(3-6-14)8-12-10-21-16-9-13(18)4-7-15(16)17(12)19/h2-9,18H,10H2,1H3/b12-8+ | |
| Standard InChI Key: | DLQSYZMPSWHYMW-XYOKQWHBSA-N | |
| SMILES: | COc1ccc(cc1)/C=C/1COc2c(C1=O)ccc(c2)O | |
Molecular propeties
| ||
| AlogP: | 3.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 282.09 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.118 | |
| Number of carbons: | 17 | |