Molecule ID: mol30271

SMILES: NC1=NCC(COC2CCCCC2)O1

InChI: InChI=1S/C10H18N2O2/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h8-9H,1-7H2,(H2,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization