Molecule ID: mol14395

SMILES: CCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCC)CCCn1ccnc1

InChI: InChI=1S/C38H75N3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-40(35-31-36-41-37-32-39-38-41)34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,37-38H,3-31,33-36H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.40 Datawarrior 2 » 1
4.40 QSARToolbox 2 » 1
4.40 OCHEM 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization