Molecule ID: mol2207
SMILES: Nc1cc(I)cc(I)c1
InChI: InChI=1S/C6H5I2N/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.98 | IUPAC digitized pKa | 1 » 0 |
| 2.03 | IUPAC digitized pKa | 1 » 0 |
| 2.08 | IUPAC digitized pKa | 1 » 0 |
| 2.13 | IUPAC digitized pKa | 1 » 0 |
| 2.19 | IUPAC digitized pKa | 1 » 0 |
| 2.25 | IUPAC digitized pKa | 1 » 0 |
| 2.30 | IUPAC digitized pKa | 1 » 0 |
| 2.37 | IUPAC digitized pKa | 1 » 0 |
| 2.37 | Hunt | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.37 | QSARToolbox | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.37 | OCHEM | 1 » 0 |
| 2.40 | OCHEM | 1 » 0 |
| 2.43 | IUPAC digitized pKa | 1 » 0 |
| 2.43 | QSARToolbox | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.57 | IUPAC digitized pKa | 1 » 0 |