Molecule ID: mol18313
SMILES: Nc1c2ccccc2nc2c(C(=O)NCCNCCO)cccc12
InChI: InChI=1S/C18H20N4O2/c19-16-12-4-1-2-7-15(12)22-17-13(16)5-3-6-14(17)18(24)21-9-8-20-10-11-23/h1-7,20,23H,8-11H2,(H2,19,22)(H,21,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.50 | OCHEM | 1 » 0 |
| 8.50 | Baltruschat ChEMBL | 1 » 0 |