Molecule ID: mol15436
SMILES: CCOC(=O)c1cnc2cc3c(cc2c1OCC)OCO3
InChI: InChI=1S/C15H15NO5/c1-3-18-14-9-5-12-13(21-8-20-12)6-11(9)16-7-10(14)15(17)19-4-2/h5-7H,3-4,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.09 | Datawarrior | 1 » 0 |
| 4.09 | QSARToolbox | 1 » 0 |
| 4.09 | OCHEM | 1 » 0 |