Molecule ID: mol19241

SMILES: O=C(O)CN[C@H](CC1CCCCC1)C(=O)N(CC(=O)ONCC1CCNCC1)C1CCCC1

InChI: InChI=1S/C24H42N4O5/c29-22(30)16-26-21(14-18-6-2-1-3-7-18)24(32)28(20-8-4-5-9-20)17-23(31)33-27-15-19-10-12-25-13-11-19/h18-21,25-27H,1-17H2,(H,29,30)/t21-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization