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canSAR558199
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NAMES
    SMILES
    C=CCN1C=CC=C/C1=C\c1sc2ccccc2[n+]1C
    InChI
    InChI=1S/C17H17N2S/c1-3-11-19-12-7-6-8-14(19)13-17-18(2)15-9-4-5-10-16(15)20-17/h3-10,12-13H,1,11H2,2H3/q+1
    MOLECULAR FORMULA
    C17H17N2S+
    CROSS REFERENCES
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    canSAR558199

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 281.11
    AlogP 3.64
    HBond donors 0
    HBond acceptors 2
    Atoms 37
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR558199.