Hydrocotarnine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1606295 | |
| PubChem: | 3646 | |
| IUPAC: | 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline | |
| Standard InChI: | InChI=1S/C12H15NO3/c1-13-4-3-8-5-10-12(16-7-15-10)11(14-2)9(8)6-13/h5H,3-4,6-7H2,1-2H3 | |
| Standard InChI Key: | XXANNZJIZQTCBP-UHFFFAOYSA-N | |
| SMILES: | COc1c2CN(C)CCc2cc2c1OCO2 | |
Molecular propeties
| ||
| AlogP: | 1.41 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 221.11 | |
| Topological polar surface area: | 30.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 12 | |