Molecule ID: mol34529
SMILES: c1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1
InChI: InChI=1S/C13H15N5/c1-2-6-12-11(5-1)17-13(18-12)15-7-3-4-10-8-14-9-16-10/h1-2,5-6,8-9H,3-4,7H2,(H,14,16)(H2,15,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.70 | QSARToolbox | 2 » 1 |
| 7.65 | QSARToolbox | 1 » 0 |