(S)-Canadine
Representations & DB's id
| ||
| ChEBI: | CHEBI:16592 | |
|---|---|---|
| ChEMBL: | CHEMBL490533 | |
| PubChem: | 21171 | |
| IUPAC: | (1S)-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene | |
| Standard InChI: | InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1 | |
| Standard InChI Key: | VZTUIEROBZXUFA-INIZCTEOSA-N | |
| SMILES: | COc1c(OC)ccc2c1CN1CCc3c([C@@H]1C2)cc1c(c3)OCO1 | |
Molecular propeties
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| AlogP: | 3.09 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 339.15 | |
| Topological polar surface area: | 40.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |