Molecule ID: mol1191
SMILES: Nc1ccc2ccccc2c1
InChI: InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.11 | OCHEM | 1 » 0 |
| 4.11 | OCHEM | 1 » 0 |
| 4.14 | QSARToolbox | 1 » 0 |
| 4.14 | IUPAC digitized pKa | 1 » 0 |
| 4.15 | OCHEM | 1 » 0 |
| 4.15 | QSARToolbox | 1 » 0 |
| 4.16 | QSARToolbox | 1 » 0 |
| 4.16 | IUPAC digitized pKa | 1 » 0 |
| 4.16 | IUPAC digitized pKa | 1 » 0 |
| 4.16 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.16 | OCHEM | 1 » 0 |
| 4.16 | Hunt | 1 » 0 |
| 4.20 | IUPAC digitized pKa | 1 » 0 |