Laudanosine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1407 | |
| PubChem: | 15548 | |
| IUPAC: | 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline | |
| Standard InChI: | InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3 | |
| Standard InChI Key: | KGPAYJZAMGEDIQ-UHFFFAOYSA-N | |
| SMILES: | COc1cc(ccc1OC)CC1N(C)CCc2c1cc(OC)c(c2)OC | |
Molecular propeties
| ||
| AlogP: | 3.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 3 | |
| Molecular Weight: | 357.19 | |
| Topological polar surface area: | 40.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.429 | |
| Number of carbons: | 21 | |