Molecule ID: mol35170

SMILES: CCC1=C(C)C(=O)N/C1=C/C1=N/C(=C/c2[nH]c(/C=C3/NC(=O)C(C)=C3CC)c(C)c2CC)C(CCC(=O)O)=C1C

InChI: InChI=1S/C32H38N4O4/c1-8-20-16(4)24(13-27-21(9-2)18(6)31(39)35-27)33-26(20)15-29-23(11-12-30(37)38)17(5)25(34-29)14-28-22(10-3)19(7)32(40)36-28/h13-15,33H,8-12H2,1-7H3,(H,35,39)(H,36,40)(H,37,38)/b27-13+,28-14+,29-15+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.30 QSARToolbox 0 » -1
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Charge States and Microspecies Visualization