Molecule ID: mol16514
SMILES: COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)nc2C)c1=O
InChI: InChI=1S/C18H23ClN4O3/c1-10-7-13(11(2)20-17(10)26-4)21-16-18(24)23(8-15(19)22-16)14(9-25-3)12-5-6-12/h7-8,12,14H,5-6,9H2,1-4H3,(H,21,22)/t14-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | Baltruschat ChEMBL | 1 » 0 |