canSAR1584356
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1cc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(O)c([N+](=O)[O-])c1.[Na+]
    InChI
    InChI=1S/C16H10N4O9S.Na/c21-14-4-1-8-5-10(30(27,28)29)2-3-11(8)15(14)18-17-12-6-9(19(23)24)7-13(16(12)22)20(25)26;/h1-7,21-22H,(H,27,28,29);/q;+1/b18-17+;
    MOLECULAR FORMULA
    C16H10N4NaO9S+
    CROSS REFERENCES
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    canSAR1584356
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight457.01
    AlogP0.73
    HBond donors3
    HBond acceptors13
    Atoms41
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1584356.