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canSAR1127421
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NAMES
    SMILES
    O=[N+]([O-])c1cccc(CSc2ccc([N+](=O)[O-])c3nonc23)c1
    InChI
    InChI=1S/C13H8N4O5S/c18-16(19)9-3-1-2-8(6-9)7-23-11-5-4-10(17(20)21)12-13(11)15-22-14-12/h1-6H,7H2
    MOLECULAR FORMULA
    C13H8N4O5S
    CROSS REFERENCES
    1127421 logo

    canSAR1127421

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 332.02
    AlogP 3.33
    HBond donors 0
    HBond acceptors 9
    Atoms 31
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1127421.