Molecule ID: mol4860
SMILES: c1nc(NC2CCCCC2)c2[nH]cnc2n1
InChI: InChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | OCHEM | 1 » 0 |
| 4.20 | Datawarrior | 1 » 0 |
| 10.20 | Datawarrior | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |