Molecule ID: mol18167
SMILES: Cc1nc2c3c(c(C(=O)N(C)C)cn2c1C)CCC(c1ccccc1)O3
InChI: InChI=1S/C21H23N3O2/c1-13-14(2)24-12-17(21(25)23(3)4)16-10-11-18(15-8-6-5-7-9-15)26-19(16)20(24)22-13/h5-9,12,18H,10-11H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.15 | OCHEM | 1 » 0 |
| 7.15 | Baltruschat ChEMBL | 1 » 0 |
| 7.15 | Baltruschat ChEMBL | 1 » 0 |