Molecule ID: mol29336
SMILES: Cn1cnc(C[C@H](N)C(=O)O)c1
InChI: InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | AttenGpKa training set | 2 » 1 |
| 6.48 | AttenGpKa training set | 1 » 0 |
| 8.85 | AttenGpKa training set | 0 » -1 |