Molecule ID: mol29971
SMILES: CC#CC(C)Oc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC(C1)N2C
InChI: InChI=1S/C20H26ClN3O2/c1-4-5-12(2)26-19-11-18(22)17(21)10-16(19)20(25)23-13-8-14-6-7-15(9-13)24(14)3/h10-15H,6-9,22H2,1-3H3,(H,23,25)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.95 | OCHEM | 1 » 0 |
| 9.95 | AttenGpKa training set | 1 » 0 |