Molecule ID: mol19288
SMILES: CNC(=N)N(C)CCNc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C18H21N5/c1-20-18(19)23(2)12-11-21-17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3-10H,11-12H2,1-2H3,(H2,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Baltruschat ChEMBL | 2 » 1 |