Molecule ID: mol5176
SMILES: CN1C[C@H](CO)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21
InChI: InChI=1S/C16H20N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-4,7,10,13,15,17,19H,5-6,8-9H2,1H3/t10-,13-,15-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.20 | AttenGpKa training set | 1 » 0 |
| 8.30 | IUPAC digitized pKa | 1 » 0 |
| 8.30 | QSARToolbox | 1 » 0 |