Molecule ID: mol19433
SMILES: Cc1nc2c3c(c(C(N)=O)cn2c1C)CCC(c1ccccc1)C3
InChI: InChI=1S/C20H21N3O/c1-12-13(2)23-11-18(19(21)24)16-9-8-15(10-17(16)20(23)22-12)14-6-4-3-5-7-14/h3-7,11,15H,8-10H2,1-2H3,(H2,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.26 | OCHEM | 1 » 0 |
| 7.26 | Baltruschat ChEMBL | 1 » 0 |