Molecule ID: mol32379

SMILES: COC(=O)C1C(O)CCC2C[n+]3ccc4c([nH]c5ccccc54)c3CC21

InChI: InChI=1S/C21H22N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,8-9,12,15,18-19,24H,6-7,10-11H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization