Molecule ID: mol2071
SMILES: Cc1cc(C)cc(N)c1
InChI: InChI=1S/C8H11N/c1-6-3-7(2)5-8(9)4-6/h3-5H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.17 | QSARToolbox | 1 » 0 |
| 4.36 | IUPAC digitized pKa | 1 » 0 |
| 4.43 | IUPAC digitized pKa | 1 » 0 |
| 4.51 | IUPAC digitized pKa | 1 » 0 |
| 4.59 | IUPAC digitized pKa | 1 » 0 |
| 4.68 | IUPAC digitized pKa | 1 » 0 |
| 4.74 | AttenGpKa training set | 1 » 0 |
| 4.76 | OCHEM | 1 » 0 |
| 4.76 | OCHEM | 1 » 0 |
| 4.77 | IUPAC digitized pKa | 1 » 0 |
| 4.79 | QSARToolbox | 1 » 0 |
| 4.79 | IUPAC digitized pKa | 1 » 0 |
| 4.79 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.81 | OCHEM | 1 » 0 |
| 4.81 | Datawarrior | 1 » 0 |
| 4.82 | QSARToolbox | 1 » 0 |
| 4.85 | OCHEM | 1 » 0 |
| 4.86 | IUPAC digitized pKa | 1 » 0 |
| 4.91 | QSARToolbox | 1 » 0 |
| 4.91 | QSARToolbox | 1 » 0 |
| 4.91 | IUPAC digitized pKa | 1 » 0 |
| 4.91 | OCHEM | 1 » 0 |
| 4.91 | Hunt | 1 » 0 |
| 4.96 | IUPAC digitized pKa | 1 » 0 |
| 5.06 | IUPAC digitized pKa | 1 » 0 |
| 5.16 | IUPAC digitized pKa | 1 » 0 |