Molecule ID: mol37339
SMILES: O=C(O)[C@H]1O[C@@H](Oc2cccc3ncccc23)[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C15H15NO7/c17-10-11(18)13(14(20)21)23-15(12(10)19)22-9-5-1-4-8-7(9)3-2-6-16-8/h1-6,10-13,15,17-19H,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 1 » 0 |