Molecule ID: mol15495
SMILES: Cn1ncc2c(NC(C)(C)CC(C)(C)C)ncnc21
InChI: InChI=1S/C14H23N5/c1-13(2,3)8-14(4,5)18-11-10-7-17-19(6)12(10)16-9-15-11/h7,9H,8H2,1-6H3,(H,15,16,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.96 | Datawarrior | 1 » 0 |
| 3.96 | OCHEM | 1 » 0 |
| 3.96 | QSARToolbox | 1 » 0 |