Molecule ID: mol8110

SMILES: CC(=O)Nc1nc(NC(C)=O)c2c(n1)N(C(C)=O)CCN2C(C)=O

InChI: InChI=1S/C14H18N6O4/c1-7(21)15-12-11-13(18-14(17-12)16-8(2)22)20(10(4)24)6-5-19(11)9(3)23/h5-6H2,1-4H3,(H2,15,16,17,18,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.12 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization