Molecule ID: mol18728

SMILES: CCCC12CCC(=O)C=C1c1c(cc(OCC(=O)NN(C)C)c(Cl)c1Cl)C2

InChI: InChI=1S/C20H24Cl2N2O3/c1-4-6-20-7-5-13(25)9-14(20)17-12(10-20)8-15(18(21)19(17)22)27-11-16(26)23-24(2)3/h8-9H,4-7,10-11H2,1-3H3,(H,23,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization