Molecule ID: mol18148
SMILES: COCCNC(=O)c1c(C)nc2c3c(c(C(=O)N(C)C)cn12)CCC(c1ccccc1)O3
InChI: InChI=1S/C24H28N4O4/c1-15-20(23(29)25-12-13-31-4)28-14-18(24(30)27(2)3)17-10-11-19(16-8-6-5-7-9-16)32-21(17)22(28)26-15/h5-9,14,19H,10-13H2,1-4H3,(H,25,29)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.38 | OCHEM | 1 » 0 |
| 4.38 | Baltruschat ChEMBL | 1 » 0 |