Molecule ID: mol26609
SMILES: CC1=NCCc2c1[nH]c1cc(O)ccc21
InChI: InChI=1S/C12H12N2O/c1-7-12-10(4-5-13-7)9-3-2-8(15)6-11(9)14-12/h2-3,6,14-15H,4-5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | AttenGpKa training set | 1 » 0 |
| 10.00 | AttenGpKa training set | 1 » 0 |
| 10.10 | AttenGpKa training set | 0 » -1 |
| 11.50 | AttenGpKa training set | 0 » -1 |