Molecule ID: mol16776
SMILES: c1ccc2[nH]c(CCCCCCCCCCCCc3nc4ccccc4[nH]3)nc2c1
InChI: InChI=1S/C26H34N4/c1(3-5-7-9-19-25-27-21-15-11-12-16-22(21)28-25)2-4-6-8-10-20-26-29-23-17-13-14-18-24(23)30-26/h11-18H,1-10,19-20H2,(H,27,28)(H,29,30)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Baltruschat ChEMBL | 1 » 0 |