Molecule ID: mol17564
SMILES: Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n([C@H](C)CO)c2n1
InChI: InChI=1S/C20H25ClN6O/c1-13(12-28)27-18(15-6-4-5-7-16(15)21)24-17-19(22-14(2)23-20(17)27)26-10-8-25(3)9-11-26/h4-7,13,28H,8-12H2,1-3H3/t13-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.50 | Baltruschat ChEMBL | 1 » 0 |