Molecule ID: mol500
SMILES: Nc1nc(-c2ccccn2)nc(N)c1Cc1ccc(Cl)cc1Cl
InChI: InChI=1S/C16H13Cl2N5/c17-10-5-4-9(12(18)8-10)7-11-14(19)22-16(23-15(11)20)13-3-1-2-6-21-13/h1-6,8H,7H2,(H4,19,20,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | Hunt | 1 » 0 |
| 5.60 | Novartis | 1 » 0 |