Molecule ID: mol30275

SMILES: NC1=NCC(COCc2ccccc2)O1

InChI: InChI=1S/C11H14N2O2/c12-11-13-6-10(15-11)8-14-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization