Molecule ID: mol131
SMILES: CN1CCN2c3ncccc3Cc3ccccc3C2C1
InChI: InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.59 | Baltruschat ChEMBL | 2 » 1 |
| 4.21 | OCHEM | 2 » 1 |
| 7.10 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | Baltruschat ChEMBL | 1 » 0 |
| 7.30 | Settimo | 1 » 0 |
| 7.30 | Settimo | 1 » 0 |
| 7.79 | Baltruschat ChEMBL | 1 » 0 |
| 7.91 | OCHEM | 1 » 0 |