Molecule ID: mol135
SMILES: CNCCCC12CCC(c3ccccc31)c1ccccc12
InChI: InChI=1S/C20H23N/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20/h2-5,7-10,15,21H,6,11-14H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | OCHEM | 1 » 0 |
| 10.30 | Jensen | 1 » 0 |
| 10.35 | OCHEM | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | OCHEM | 1 » 0 |
| 10.50 | Baltruschat ChEMBL | 1 » 0 |
| 10.50 | Baltruschat ChEMBL | 1 » 0 |
| 10.50 | Settimo | 1 » 0 |
| 10.50 | Settimo | 1 » 0 |
| 10.60 | Baltruschat ChEMBL | 1 » 0 |