Palmitine
Representations & DB's id
| ||
| ChEBI: | CHEBI:16096 | |
|---|---|---|
| ChEMBL: | CHEMBL206106 | |
| PubChem: | 19009 | |
| IUPAC: | 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium | |
| Standard InChI: | InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1 | |
| Standard InChI Key: | QUCQEUCGKKTEBI-UHFFFAOYSA-N | |
| SMILES: | COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC | |
Molecular propeties
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| AlogP: | 3.38 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 352.15 | |
| Topological polar surface area: | 40.8 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.286 | |
| Number of carbons: | 21 | |