Molecule ID: mol17208

SMILES: c1cc(C2CCC3(CC2)CCC2(OC3)C3CC4CC(C3)CC2C4)ccc1OCCN1CCOCC1

InChI: InChI=1S/C31H45NO3/c1-3-29(34-16-13-32-11-14-33-15-12-32)4-2-25(1)26-5-7-30(8-6-26)9-10-31(35-22-30)27-18-23-17-24(20-27)21-28(31)19-23/h1-4,23-24,26-28H,5-22H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization