Molecule ID: mol19966

SMILES: CC(C)(C)c1[nH]c2ccccc2c1C1CCCN(Cc2ccc(/C=C/C(=O)NO)cc2)C1

InChI: InChI=1S/C27H33N3O2/c1-27(2,3)26-25(22-8-4-5-9-23(22)28-26)21-7-6-16-30(18-21)17-20-12-10-19(11-13-20)14-15-24(31)29-32/h4-5,8-15,21,28,32H,6-7,16-18H2,1-3H3,(H,29,31)/b15-14+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization