Molecule ID: mol17493

SMILES: CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1

InChI: InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization