3-(1-methylisoquinolin-2-ium-2-yl)propane-1-sulfonate
Chemical Structure Depiction of
3-(1-methylisoquinolin-2-ium-2-yl)propane-1-sulfonate
3-(1-methylisoquinolin-2-ium-2-yl)propane-1-sulfonate
Compound characteristics
| Compound ID: | 2056-0147 |
| Compound Name: | 3-(1-methylisoquinolin-2-ium-2-yl)propane-1-sulfonate |
| Molecular Weight: | 265.33 |
| Molecular Formula: | C13 H15 N O3 S |
| Smiles: | Cc1c2ccccc2cc[n+]1CCCS([O-])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3733 |
| logD: | 0.3733 |
| logSw: | -2.161 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.594 |
| InChI Key: | DJEDVFBYNODTPZ-UHFFFAOYSA-N |