Molecule ID: mol14972
SMILES: CCCCNc1nnc(-c2ccccc2)cc1C
InChI: InChI=1S/C15H19N3/c1-3-4-10-16-15-12(2)11-14(17-18-15)13-8-6-5-7-9-13/h5-9,11H,3-4,10H2,1-2H3,(H,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | OCHEM | 1 » 0 |
| 6.10 | QSARToolbox | 1 » 0 |
| 6.10 | Datawarrior | 1 » 0 |