Molecule ID: mol29715
SMILES: Nc1ncccc1C(=O)Nc1nc2ccccc2s1
InChI: InChI=1S/C13H10N4OS/c14-11-8(4-3-7-15-11)12(18)17-13-16-9-5-1-2-6-10(9)19-13/h1-7H,(H2,14,15)(H,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | AttenGpKa training set | 1 » 0 |
| 7.87 | AttenGpKa training set | 0 » -1 |