Molecule ID: mol2631

SMILES: O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](CN4CCOCC4)C3)nc2)c(F)c1

InChI: InChI=1S/C25H26FN7O4/c26-22-11-18(33-16-20(36-25(33)34)15-32-6-5-28-30-32)2-3-21(22)17-1-4-23(27-13-17)24-12-19(37-29-24)14-31-7-9-35-10-8-31/h1-6,11,13,19-20H,7-10,12,14-16H2/t19-,20-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.83 Manchester 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization