Molecule ID: mol17845
SMILES: O=C1NCC2(CCCNC2)c2[nH]c(-c3ccnc(-c4ccc5c(c4)OCO5)n3)cc21
InChI: InChI=1S/C22H21N5O3/c28-21-14-9-16(26-19(14)22(11-25-21)5-1-6-23-10-22)15-4-7-24-20(27-15)13-2-3-17-18(8-13)30-12-29-17/h2-4,7-9,23,26H,1,5-6,10-12H2,(H,25,28)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.30 | OCHEM | 1 » 0 |
| 8.30 | Baltruschat ChEMBL | 1 » 0 |