Molecule ID: mol19476
SMILES: Cc1nc2c(O[C@H]3c4ccccc4C[C@@H]3O)cc(C(=O)N(C)C)cn2c1C
InChI: InChI=1S/C21H23N3O3/c1-12-13(2)24-11-15(21(26)23(3)4)10-18(20(24)22-12)27-19-16-8-6-5-7-14(16)9-17(19)25/h5-8,10-11,17,19,25H,9H2,1-4H3/t17-,19-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.21 | Baltruschat ChEMBL | 1 » 0 |
| 6.21 | QSARToolbox | 1 » 0 |