Molecule ID: mol19478
SMILES: Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(=O)N(C)C)cn2c1C
InChI: InChI=1S/C21H24N4O2/c1-12-13(2)25-11-15(21(27)24(3)4)9-17(20(25)22-12)23-19-16-8-6-5-7-14(16)10-18(19)26/h5-9,11,18-19,23,26H,10H2,1-4H3/t18-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.24 | QSARToolbox | 1 » 0 |
| 6.24 | Baltruschat ChEMBL | 1 » 0 |