Molecule ID: mol37315
SMILES: O[C@H]1[C@H]2O[C@H]2c2c(ccc3cc4ccc5ccccc5c4nc23)[C@@H]1O
InChI: InChI=1S/C21H15NO3/c23-18-14-8-7-12-9-11-6-5-10-3-1-2-4-13(10)16(11)22-17(12)15(14)20-21(25-20)19(18)24/h1-9,18-21,23-24H/t18-,19+,20-,21+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | QSARToolbox | 1 » 0 |