Molecule ID: mol3895
SMILES: NCCNCc1cccs1
InChI: InChI=1S/C7H12N2S/c8-3-4-9-6-7-2-1-5-10-7/h1-2,5,9H,3-4,6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.29 | IUPAC digitized pKa | 2 » 1 |
| 6.30 | OCHEM | 2 » 1 |
| 9.70 | OCHEM | 1 » 0 |
| 9.77 | IUPAC digitized pKa | 1 » 0 |
| 9.80 | OCHEM | 1 » 0 |