Molecule ID: mol36715

SMILES: N#Cc1cccc2c1C1CCC2c2cccc(C(=O)O)c21

InChI: InChI=1S/C18H13NO2/c19-9-10-3-1-4-12-11-7-8-14(16(10)12)17-13(11)5-2-6-15(17)18(20)21/h1-6,11,14H,7-8H2,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization