Molecule ID: mol17171
SMILES: Cc1cc(C)nc(Nc2cc(NCC3(N)CC3)cnc2C(N)=O)c1
InChI: InChI=1S/C17H22N6O/c1-10-5-11(2)22-14(6-10)23-13-7-12(8-20-15(13)16(18)24)21-9-17(19)3-4-17/h5-8,21H,3-4,9,19H2,1-2H3,(H2,18,24)(H,22,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.90 | OCHEM | 1 » 0 |
| 7.90 | Baltruschat ChEMBL | 1 » 0 |