Molecule ID: mol17169
SMILES: Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1
InChI: InChI=1S/C19H26N6O/c1-11-7-12(2)23-17(8-11)25-16-9-13(10-22-18(16)19(21)26)24-15-6-4-3-5-14(15)20/h7-10,14-15,24H,3-6,20H2,1-2H3,(H2,21,26)(H,23,25)/t14-,15+/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | OCHEM | 1 » 0 |
| 9.00 | Baltruschat ChEMBL | 1 » 0 |