Molecule ID: mol406
SMILES: Cc1cnc(NC(=O)CN2CCCCC2)s1
InChI: InChI=1S/C11H17N3OS/c1-9-7-12-11(16-9)13-10(15)8-14-5-3-2-4-6-14/h7H,2-6,8H2,1H3,(H,12,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | OCHEM | 1 » 0 |
| 7.40 | Settimo | 1 » 0 |
| 10.60 | OCHEM | 0 » -1 |
| 10.60 | Settimo | 0 » -1 |
| 10.60 | AttenGpKa training set | 0 » -1 |