Molecule ID: mol65
SMILES: CN1CCC[C@H]1c1cccnc1
InChI: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.87 | IUPAC digitized pKa | 2 » 1 |
| 2.87 | IUPAC digitized pKa | 2 » 1 |
| 3.04 | IUPAC digitized pKa | 2 » 1 |
| 3.04 | IUPAC digitized pKa | 2 » 1 |
| 3.10 | OCHEM | 2 » 1 |
| 3.10 | OCHEM | 2 » 1 |
| 3.12 | IUPAC digitized pKa | 2 » 1 |
| 3.13 | OCHEM | 2 » 1 |
| 3.13 | OCHEM | 2 » 1 |
| 3.20 | Jensen | 2 » 1 |
| 3.22 | IUPAC digitized pKa | 2 » 1 |
| 3.22 | IUPAC digitized pKa | 2 » 1 |
| 3.24 | IUPAC digitized pKa | 2 » 1 |
| 3.24 | IUPAC digitized pKa | 2 » 1 |
| 3.40 | Baltruschat ChEMBL | 2 » 1 |
| 3.41 | IUPAC digitized pKa | 2 » 1 |
| 3.41 | IUPAC digitized pKa | 2 » 1 |
| 3.55 | IUPAC digitized pKa | 2 » 1 |
| 3.55 | IUPAC digitized pKa | 2 » 1 |
| 5.78 | QSARToolbox | 2 » 1 |
| 5.98 | QSARToolbox | 1 » 0 |
| 6.15 | QSARToolbox | 1 » 0 |
| 7.37 | IUPAC digitized pKa | 1 » 0 |
| 7.65 | IUPAC digitized pKa | 1 » 0 |
| 7.65 | IUPAC digitized pKa | 1 » 0 |
| 7.66 | IUPAC digitized pKa | 1 » 0 |
| 7.66 | IUPAC digitized pKa | 1 » 0 |
| 7.66 | Baltruschat ChEMBL | 1 » 0 |
| 7.84 | IUPAC digitized pKa | 1 » 0 |
| 7.90 | Baltruschat ChEMBL | 1 » 0 |
| 7.94 | IUPAC digitized pKa | 1 » 0 |
| 7.94 | IUPAC digitized pKa | 1 » 0 |
| 7.97 | IUPAC digitized pKa | 1 » 0 |
| 8.00 | IUPAC digitized pKa | 1 » 0 |
| 8.00 | IUPAC digitized pKa | 1 » 0 |
| 8.00 | Baltruschat ChEMBL | 1 » 0 |
| 8.02 | IUPAC digitized pKa | 1 » 0 |
| 8.04 | IUPAC digitized pKa | 1 » 0 |
| 8.04 | IUPAC digitized pKa | 1 » 0 |
| 8.08 | Baltruschat ChEMBL | 1 » 0 |
| 8.10 | OCHEM | 1 » 0 |
| 8.10 | OCHEM | 1 » 0 |
| 8.10 | Baltruschat ChEMBL | 1 » 0 |
| 8.10 | Baltruschat ChEMBL | 1 » 0 |
| 8.10 | Jensen | 1 » 0 |
| 8.11 | OCHEM | 1 » 0 |
| 8.11 | Settimo | 1 » 0 |
| 8.13 | IUPAC digitized pKa | 1 » 0 |
| 8.13 | IUPAC digitized pKa | 1 » 0 |
| 8.18 | OCHEM | 1 » 0 |
| 8.18 | OCHEM | 1 » 0 |
| 10.28 | QSARToolbox | 1 » 0 |