Molecule ID: mol20331
SMILES: Cc1nc(N2CCCCC2)c([N+](=O)[O-])n1CC(O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
InChI: InChI=1S/C29H36FN7O6/c1-18-31-27(34-7-3-2-4-8-34)28(37(42)43)35(18)16-20(38)15-32-9-11-33(12-10-32)25-14-24-21(13-23(25)30)26(39)22(29(40)41)17-36(24)19-5-6-19/h13-14,17,19-20,38H,2-12,15-16H2,1H3,(H,40,41)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.90 | Baltruschat ChEMBL | 0 » -1 |