Molecule ID: mol18165
SMILES: CNC(=O)c1cn2c(C)c(C)nc2c2c1CCC(c1ccccc1)O2
InChI: InChI=1S/C20H21N3O2/c1-12-13(2)23-11-16(20(24)21-3)15-9-10-17(14-7-5-4-6-8-14)25-18(15)19(23)22-12/h4-8,11,17H,9-10H2,1-3H3,(H,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.74 | OCHEM | 1 » 0 |
| 6.74 | Baltruschat ChEMBL | 1 » 0 |