Molecule ID: mol36210
SMILES: Clc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1
InChI: InChI=1S/C13H14ClN5/c14-9-3-4-11-12(6-9)19-13(18-11)16-5-1-2-10-7-15-8-17-10/h3-4,6-8H,1-2,5H2,(H,15,17)(H2,16,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.20 | QSARToolbox | 2 » 1 |
| 7.44 | QSARToolbox | 1 » 0 |