Molecule ID: mol17839
SMILES: CCc1cc(N2CC[C@@H](NC)C2)nc(N)n1
InChI: InChI=1S/C11H19N5/c1-3-8-6-10(15-11(12)14-8)16-5-4-9(7-16)13-2/h6,9,13H,3-5,7H2,1-2H3,(H2,12,14,15)/t9-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | OCHEM | 2 » 1 |
| 6.30 | Baltruschat ChEMBL | 2 » 1 |
| 7.50 | OCHEM | 2 » 1 |
| 7.50 | Baltruschat ChEMBL | 2 » 1 |