Molecule ID: mol18147
SMILES: CC#CC(O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CCC(c1ccccc1)O3
InChI: InChI=1S/C24H25N3O3/c1-5-9-19(28)21-15(2)25-23-22-17(18(14-27(21)23)24(29)26(3)4)12-13-20(30-22)16-10-7-6-8-11-16/h6-8,10-11,14,19-20,28H,12-13H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | OCHEM | 1 » 0 |
| 5.58 | Baltruschat ChEMBL | 1 » 0 |