Molecule ID: mol31431

SMILES: N=C(N)NCCC[C@H](N)C(=O)NO

InChI: InChI=1S/C6H15N5O2/c7-4(5(12)11-13)2-1-3-10-6(8)9/h4,13H,1-3,7H2,(H,11,12)(H4,8,9,10)/t4-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.88 AttenGpKa training set 2 » 1
8.83 AttenGpKa training set 1 » 0
13.23 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization