Molecule ID: mol15013
SMILES: COc1ccc2c(c1O)CN(C)CCc1cc3c(cc1C(=O)C2)OCO3
InChI: InChI=1S/C20H21NO5/c1-21-6-5-13-8-18-19(26-11-25-18)9-14(13)16(22)7-12-3-4-17(24-2)20(23)15(12)10-21/h3-4,8-9,23H,5-7,10-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Datawarrior | 0 » -1 |
| 9.00 | OCHEM | 0 » -1 |
| 9.00 | QSARToolbox | 0 » -1 |