Molecule ID: mol1157
SMILES: NCc1ccccc1
InChI: InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.32 | IUPAC digitized pKa | 1 » 0 |
| 9.33 | IUPAC digitized pKa | 1 » 0 |
| 9.33 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.33 | OCHEM | 1 » 0 |
| 9.33 | OCHEM | 1 » 0 |
| 9.34 | IUPAC digitized pKa | 1 » 0 |
| 9.35 | IUPAC digitized pKa | 1 » 0 |
| 9.35 | OCHEM | 1 » 0 |
| 9.35 | OCHEM | 1 » 0 |
| 9.36 | OCHEM | 1 » 0 |
| 9.36 | Datawarrior | 1 » 0 |
| 9.36 | OCHEM | 1 » 0 |
| 9.37 | AttenGpKa training set | 1 » 0 |
| 9.38 | IUPAC digitized pKa | 1 » 0 |
| 9.38 | IUPAC digitized pKa | 1 » 0 |
| 9.46 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | Baltruschat ChEMBL | 1 » 0 |
| 9.62 | IUPAC digitized pKa | 1 » 0 |
| 9.62 | OCHEM | 1 » 0 |
| 9.62 | Hunt | 1 » 0 |