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canSAR1442615
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NAMES
    SMILES
    O=C(Cn1c(-c2ccccc2)c[n+]2ccsc12)c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C19H14N3O3S/c23-18(15-6-8-16(9-7-15)22(24)25)13-21-17(14-4-2-1-3-5-14)12-20-10-11-26-19(20)21/h1-12H,13H2/q+1
    MOLECULAR FORMULA
    C19H14N3O3S+
    CROSS REFERENCES
    1442615 logo

    canSAR1442615

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 364.08
    AlogP 3.75
    HBond donors 0
    HBond acceptors 6
    Atoms 40
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1442615.