Molecule ID: mol32097

SMILES: COc1ccc2[nH]c([S+]([O-])Cc3cc(N4CCOCC4)c(F)cn3)nc2c1

InChI: InChI=1S/C18H19FN4O3S/c1-25-13-2-3-15-16(9-13)22-18(21-15)27(24)11-12-8-17(14(19)10-20-12)23-4-6-26-7-5-23/h2-3,8-10H,4-7,11H2,1H3,(H,21,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization