Molecule ID: mol19085
SMILES: N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCCn4ccnc4)cc2-3)cn1
InChI: InChI=1S/C22H18N6O/c23-12-17-4-2-16(13-25-17)21-20-10-15-3-5-18(11-19(15)22(20)27-26-21)29-9-1-7-28-8-6-24-14-28/h2-6,8,11,13-14H,1,7,9-10H2,(H,26,27)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | Baltruschat ChEMBL | 1 » 0 |