Molecule ID: mol31669

SMILES: C=CCN1CCC(CNC(=O)c2cc3nn[nH]c3cc2OC)C1

InChI: InChI=1S/C16H21N5O2/c1-3-5-21-6-4-11(10-21)9-17-16(22)12-7-13-14(19-20-18-13)8-15(12)23-2/h3,7-8,11H,1,4-6,9-10H2,2H3,(H,17,22)(H,18,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.70 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization