Molecule ID: mol3112
SMILES: NCCSCCSCCN
InChI: InChI=1S/C6H16N2S2/c7-1-3-9-5-6-10-4-2-8/h1-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.08 | IUPAC digitized pKa | 1 » 0 |
| 8.43 | IUPAC digitized pKa | 1 » 0 |
| 8.50 | AttenGpKa training set | 1 » 0 |
| 8.69 | IUPAC digitized pKa | 1 » 0 |
| 8.90 | OCHEM | 1 » 0 |
| 9.00 | IUPAC digitized pKa | 1 » 0 |
| 9.03 | IUPAC digitized pKa | 1 » 0 |
| 9.31 | IUPAC digitized pKa | 1 » 0 |
| 9.32 | OCHEM | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |
| 9.62 | IUPAC digitized pKa | 1 » 0 |
| 9.93 | IUPAC digitized pKa | 1 » 0 |