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canSAR1639012
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NAMES
    SMILES
    O=C(NCc1ccco1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
    InChI
    InChI=1S/C18H15N3O6S/c22-18(19-12-16-4-2-10-27-16)13-6-8-14(9-7-13)20-28(25,26)17-5-1-3-15(11-17)21(23)24/h1-11,20H,12H2,(H,19,22)
    MOLECULAR FORMULA
    C18H15N3O6S
    CROSS REFERENCES
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    canSAR1639012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.07
    AlogP 2.92
    HBond donors 2
    HBond acceptors 9
    Atoms 43
    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 canSAR1639012.