Molecule ID: mol18138
SMILES: CC(=O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CCC(c1ccccc1)O3
InChI: InChI=1S/C22H23N3O3/c1-13-19(14(2)26)25-12-17(22(27)24(3)4)16-10-11-18(15-8-6-5-7-9-15)28-20(16)21(25)23-13/h5-9,12,18H,10-11H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | OCHEM | 1 » 0 |
| 3.73 | Baltruschat ChEMBL | 1 » 0 |