Molecule ID: mol20847
SMILES: Cc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1
InChI: InChI=1S/C17H21ClN4O/c1-9-7-10(2)19-11(3)15(9)21-16-17(23)22(8-14(18)20-16)12(4)13-5-6-13/h7-8,12-13H,5-6H2,1-4H3,(H,20,21)/t12-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Baltruschat ChEMBL | 1 » 0 |