Molecule ID: mol37324
SMILES: O[C@H]1CCc2c(ccc3nc4ccc5ccccc5c4cc23)[C@@H]1O
InChI: InChI=1S/C21H17NO2/c23-20-10-7-14-15(21(20)24)6-9-19-17(14)11-16-13-4-2-1-3-12(13)5-8-18(16)22-19/h1-6,8-9,11,20-21,23-24H,7,10H2/t20-,21-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | QSARToolbox | 1 » 0 |