Molecule ID: mol20845
SMILES: COc1ccc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)n1
InChI: InChI=1S/C16H19ClN4O2/c1-9-12(6-7-14(18-9)23-3)19-15-16(22)21(8-13(17)20-15)10(2)11-4-5-11/h6-8,10-11H,4-5H2,1-3H3,(H,19,20)/t10-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | OCHEM | 1 » 0 |
| 3.20 | Baltruschat ChEMBL | 1 » 0 |