Molecule ID: mol6976

SMILES: CSc1ccc(N2CCCCC2)nn1

InChI: InChI=1S/C10H15N3S/c1-14-10-6-5-9(11-12-10)13-7-3-2-4-8-13/h5-6H,2-4,7-8H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.13 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization