Molecule ID: mol240
SMILES: c1cnc(N2CCNCC2)nc1
InChI: InChI=1S/C8H12N4/c1-2-10-8(11-3-1)12-6-4-9-5-7-12/h1-3,9H,4-7H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.81 | AttenGpKa training set | 1 » 0 |
| 8.90 | OCHEM | 1 » 0 |
| 8.90 | AvLiLuMoVe | 1 » 0 |
| 8.90 | Settimo | 1 » 0 |