Molecule ID: mol32205

SMILES: CN1CCc2cccc3c2[C@H]1Cc1ccc2c(c1-3)OCO2

InChI: InChI=1S/C18H17NO2/c1-19-8-7-11-3-2-4-13-16(11)14(19)9-12-5-6-15-18(17(12)13)21-10-20-15/h2-6,14H,7-10H2,1H3/t14-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization