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canSAR1688574
FEATURES
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NAMES
    SMILES
    O=S(=O)([O-])c1cc(O)c2c(O)c(N=Nc3cc(Cl)ccc3O)c(S(=O)(=O)[O-])cc2c1.[Na+]
    InChI
    InChI=1S/C16H11ClN2O9S2.Na/c17-8-1-2-11(20)10(5-8)18-19-15-13(30(26,27)28)4-7-3-9(29(23,24)25)6-12(21)14(7)16(15)22;/h1-6,20-22H,(H,23,24,25)(H,26,27,28);/q;+1/p-2
    MOLECULAR FORMULA
    C16H9ClN2NaO9S2-
    CROSS REFERENCES
    1688574 logo

    canSAR1688574

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.93
    AlogP -0.16
    HBond donors 3
    HBond acceptors 11
    Atoms 40
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1688574.