Molecule ID: mol19958
SMILES: CN[C@@H]1CCN(c2cc(CCl)nc(N)n2)C1
InChI: InChI=1S/C10H16ClN5/c1-13-7-2-3-16(6-7)9-4-8(5-11)14-10(12)15-9/h4,7,13H,2-3,5-6H2,1H3,(H2,12,14,15)/t7-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | OCHEM | 2 » 1 |
| 6.00 | Baltruschat ChEMBL | 2 » 1 |