Molecule ID: mol31929

SMILES: CCN(CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(CC)Cc1ccccc1[N+](=O)[O-])Cc1ccccc1[N+](=O)[O-]

InChI: InChI=1S/C40H64N6O6/c1-5-43(33-35-23-15-17-25-37(35)45(49)50)31-21-11-13-27-39(47)41(3)29-19-9-7-8-10-20-30-42(4)40(48)28-14-12-22-32-44(6-2)34-36-24-16-18-26-38(36)46(51)52/h15-18,23-26H,5-14,19-22,27-34H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization