Molecule ID: mol19480
SMILES: Cc1nc2c(N[C@H]3c4ccccc4C[C@@H]3O)cc(C(N)=O)cn2c1C
InChI: InChI=1S/C19H20N4O2/c1-10-11(2)23-9-13(18(20)25)7-15(19(23)21-10)22-17-14-6-4-3-5-12(14)8-16(17)24/h3-7,9,16-17,22,24H,8H2,1-2H3,(H2,20,25)/t16-,17-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.97 | QSARToolbox | 1 » 0 |
| 5.97 | Baltruschat ChEMBL | 1 » 0 |