Molecule ID: mol34409

SMILES: COc1ccc(OP(=O)(NNS(=O)(=O)c2ccc(C)cc2)N(CCCl)CCCl)cc1

InChI: InChI=1S/C18H24Cl2N3O5PS/c1-15-3-9-18(10-4-15)30(25,26)22-21-29(24,23(13-11-19)14-12-20)28-17-7-5-16(27-2)6-8-17/h3-10,22H,11-14H2,1-2H3,(H,21,24)

Experimental Macro pKa Values

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