Molecule ID: mol20327

SMILES: CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CC(O)Cn4c(C)nc(N5CCCCC5)c4[N+](=O)[O-])CC3)cc21

InChI: InChI=1S/C28H36FN7O6/c1-3-32-17-21(28(39)40)25(38)20-13-22(29)24(14-23(20)32)33-11-9-31(10-12-33)15-19(37)16-35-18(2)30-26(27(35)36(41)42)34-7-5-4-6-8-34/h13-14,17,19,37H,3-12,15-16H2,1-2H3,(H,39,40)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.75 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization