Molecule ID: mol37318
SMILES: O[C@@H]1[C@H](O)[C@@H](O)c2c(ccc3nc4ccc5ccccc5c4cc23)[C@H]1O
InChI: InChI=1S/C21H17NO4/c23-18-12-6-8-16-14(17(12)19(24)21(26)20(18)25)9-13-11-4-2-1-3-10(11)5-7-15(13)22-16/h1-9,18-21,23-26H/t18-,19+,20+,21-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.65 | QSARToolbox | 1 » 0 |