Molecule ID: mol20373

SMILES: C#CC(C)(C)N1CCC(CC(=O)NO)(NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)CC1

InChI: InChI=1S/C30H34N4O4/c1-5-29(3,4)34-16-14-30(15-17-34,19-27(35)33-37)32-28(36)22-10-12-24(13-11-22)38-20-23-18-21(2)31-26-9-7-6-8-25(23)26/h1,6-13,18,37H,14-17,19-20H2,2-4H3,(H,32,36)(H,33,35)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization