Molecule ID: mol18020
SMILES: Cc1nc2c(CCc3ccccc3)cccn2c1N
InChI: InChI=1S/C16H17N3/c1-12-15(17)19-11-5-8-14(16(19)18-12)10-9-13-6-3-2-4-7-13/h2-8,11H,9-10,17H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |