Flindersine
Representations & DB's id
| ||
| ChEBI: | CHEBI:5094 | |
|---|---|---|
| ChEMBL: | CHEMBL1507844 | |
| PubChem: | 68230 | |
| IUPAC: | 2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one | |
| Standard InChI: | InChI=1S/C14H13NO2/c1-14(2)8-7-10-12(17-14)9-5-3-4-6-11(9)15-13(10)16/h3-8H,1-2H3,(H,15,16) | |
| Standard InChI Key: | PXNMNABLQWUMCX-UHFFFAOYSA-N | |
| SMILES: | Oc1nc2ccccc2c2c1C=CC(O2)(C)C | |
Molecular propeties
| ||
| AlogP: | 3.12 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 227.09 | |
| Topological polar surface area: | 38.3 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.214 | |
| Number of carbons: | 14 | |