Molecule ID: mol410
SMILES: CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC
InChI: InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.27 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 9.30 | OCHEM | 1 » 0 |
| 9.30 | Baltruschat ChEMBL | 1 » 0 |
| 9.33 | OCHEM | 1 » 0 |
| 9.33 | OCHEM | 1 » 0 |
| 9.33 | Baltruschat ChEMBL | 1 » 0 |
| 9.40 | OCHEM | 1 » 0 |
| 9.40 | Settimo | 1 » 0 |
| 9.40 | Settimo | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.51 | OCHEM | 1 » 0 |
| 9.51 | Hunt | 1 » 0 |
| 9.51 | Baltruschat ChEMBL | 1 » 0 |
| 9.51 | Baltruschat ChEMBL | 1 » 0 |
| 9.59 | Baltruschat ChEMBL | 1 » 0 |
| 9.59 | Baltruschat ChEMBL | 1 » 0 |
| 9.71 | OCHEM | 1 » 0 |