Kinidilin
Representations & DB's id
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| ChEBI: | CHEBI:81139 | |
|---|---|---|
| ChEMBL: | CHEMBL1934194 | |
| PubChem: | 821449 | |
| IUPAC: | 9-methoxy-4-(3-methylbut-2-enoxy)furo[3,2-g]chromen-7-one | |
| Standard InChI: | InChI=1S/C17H16O5/c1-10(2)6-8-20-14-11-4-5-13(18)22-16(11)17(19-3)15-12(14)7-9-21-15/h4-7,9H,8H2,1-3H3 | |
| Standard InChI Key: | NNDOCYLWULORAM-UHFFFAOYSA-N | |
| SMILES: | COc1c2occc2c(c2c1oc(=O)cc2)OCC=C(C)C | |
Molecular propeties
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| AlogP: | 3.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 3 | |
| Molecular Weight: | 300.1 | |
| Topological polar surface area: | 57.9 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.235 | |
| Number of carbons: | 17 | |