Molecule ID: mol18166
SMILES: Cc1nc2c3c(c(C(N)=O)cn2c1C)CCC(c1ccccc1)O3
InChI: InChI=1S/C19H19N3O2/c1-11-12(2)22-10-15(18(20)23)14-8-9-16(13-6-4-3-5-7-13)24-17(14)19(22)21-11/h3-7,10,16H,8-9H2,1-2H3,(H2,20,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.52 | OCHEM | 1 » 0 |
| 6.52 | Baltruschat ChEMBL | 1 » 0 |