Molecule ID: mol20330
SMILES: Cc1nc(N2CCCC2)c([N+](=O)[O-])n1CC(O)CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
InChI: InChI=1S/C28H34FN7O6/c1-17-30-26(33-6-2-3-7-33)27(36(41)42)34(17)15-19(37)14-31-8-10-32(11-9-31)24-13-23-20(12-22(24)29)25(38)21(28(39)40)16-35(23)18-4-5-18/h12-13,16,18-19,37H,2-11,14-15H2,1H3,(H,39,40)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.73 | Baltruschat ChEMBL | 0 » -1 |