Molecule ID: mol20809

SMILES: CC1(C)CCCN(Cc2ccc3c(c2)OCO3)C1

InChI: InChI=1S/C15H21NO2/c1-15(2)6-3-7-16(10-15)9-12-4-5-13-14(8-12)18-11-17-13/h4-5,8H,3,6-7,9-11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization