Molecule ID: mol20096

SMILES: CCCCCCCCc1noc(/C(=N/O)SCCN(CC)CC)n1

InChI: InChI=1S/C17H32N4O2S/c1-4-7-8-9-10-11-12-15-18-16(23-20-15)17(19-22)24-14-13-21(5-2)6-3/h22H,4-14H2,1-3H3/b19-17-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization