Molecule ID: mol15106
SMILES: Cc1[nH]cnc1CSCCNC(=N)NCCCc1c[nH]cn1
InChI: InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.41 | QSARToolbox | 3 » 2 |
| 6.41 | Datawarrior | 3 » 2 |
| 7.26 | Datawarrior | 2 » 1 |
| 11.60 | Datawarrior | 1 » 0 |
| 11.60 | OCHEM | 1 » 0 |