(13Ar)-3,10-Dimethoxy-6,8,13,13A-Tetrahydro-5H-Isoquinolino[2,1-B]Isoquinoline-2,9-Diol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1395394 | |
| PubChem: | 1152279 | |
| IUPAC: | (13aR)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol | |
| Standard InChI: | InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m1/s1 | |
| Standard InChI Key: | KNWVMRVOBAFFMH-OAHLLOKOSA-N | |
| SMILES: | COc1cc2CCN3[C@@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC | |
Molecular propeties
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| AlogP: | 2.77 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 327.15 | |
| Topological polar surface area: | 62.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.368 | |
| Number of carbons: | 19 | |