Molecule ID: mol17780

SMILES: O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C(Cc2ncc[nH]2)NC1=O

InChI: InChI=1S/C21H24N4O3/c26-19-16(12-17-22-10-11-23-17)25-21(28)18(19)20(27)24-15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-11,13,16,26H,1-5,12H2,(H,22,23)(H,24,27)(H,25,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization