Molecule ID: mol32694

SMILES: COc1cc2c(cc1OC)C13CCN4C1CC1C(=CCOC5CC(=O)N2C3C51)C4S(=O)(=O)O

InChI: InChI=1S/C23H26N2O7S/c1-30-15-8-13-14(9-16(15)31-2)25-19(26)10-17-20-12-7-18-23(13,21(20)25)4-5-24(18)22(33(27,28)29)11(12)3-6-32-17/h3,8-9,12,17-18,20-22H,4-7,10H2,1-2H3,(H,27,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization