Molecule ID: mol19477
SMILES: COCCNC(=O)c1cc(N[C@H]2c3ccccc3C[C@@H]2O)c2nc(C)c(C)n2c1
InChI: InChI=1S/C22H26N4O3/c1-13-14(2)26-12-16(22(28)23-8-9-29-3)10-18(21(26)24-13)25-20-17-7-5-4-6-15(17)11-19(20)27/h4-7,10,12,19-20,25,27H,8-9,11H2,1-3H3,(H,23,28)/t19-,20-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.01 | Baltruschat ChEMBL | 1 » 0 |
| 6.01 | QSARToolbox | 1 » 0 |