Molecule ID: mol30285

SMILES: NC1=NCC(COCCOc2ccccc2)O1

InChI: InChI=1S/C12H16N2O3/c13-12-14-8-11(17-12)9-15-6-7-16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization