Molecule ID: mol32372

SMILES: C=CC1(O)CN2CCC1CC2C(O)c1cc(O)nc2ccccc12

InChI: InChI=1S/C19H22N2O3/c1-2-19(24)11-21-8-7-12(19)9-16(21)18(23)14-10-17(22)20-15-6-4-3-5-13(14)15/h2-6,10,12,16,18,23-24H,1,7-9,11H2,(H,20,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.76 OCHEM 2 » 1
7.65 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization