Molecule ID: mol123
SMILES: NC12CC3CC(CC(C3)C1)C2
InChI: InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.14 | IUPAC digitized pKa | 1 » 0 |
| 10.25 | IUPAC digitized pKa | 1 » 0 |
| 10.39 | IUPAC digitized pKa | 1 » 0 |
| 10.55 | Baltruschat ChEMBL | 1 » 0 |
| 10.55 | QSARToolbox | 1 » 0 |
| 10.58 | IUPAC digitized pKa | 1 » 0 |
| 10.58 | OCHEM | 1 » 0 |
| 10.58 | OCHEM | 1 » 0 |
| 10.58 | OCHEM | 1 » 0 |
| 10.63 | Baltruschat ChEMBL | 1 » 0 |
| 10.68 | OCHEM | 1 » 0 |
| 10.68 | OCHEM | 1 » 0 |
| 10.68 | OCHEM | 1 » 0 |
| 10.68 | Hunt | 1 » 0 |
| 10.68 | Baltruschat ChEMBL | 1 » 0 |
| 10.68 | Settimo | 1 » 0 |
| 10.68 | Settimo | 1 » 0 |
| 10.71 | IUPAC digitized pKa | 1 » 0 |
| 10.80 | OCHEM | 1 » 0 |
| 10.80 | Baltruschat ChEMBL | 1 » 0 |
| 10.80 | Baltruschat ChEMBL | 1 » 0 |
| 10.80 | Baltruschat ChEMBL | 1 » 0 |