Molecule ID: mol24630

SMILES: Clc1ccc(C2=CC3CCC2N3)cn1

InChI: InChI=1S/C11H11ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4-6,8,10,14H,2-3H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.79 AttenGpKa training set 2 » 1
9.26 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization