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canSAR1442219
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NAMES
    SMILES
    Cc1cccc(C)c1NC1=NCCCCS1
    InChI
    InChI=1S/C13H18N2S/c1-10-6-5-7-11(2)12(10)15-13-14-8-3-4-9-16-13/h5-7H,3-4,8-9H2,1-2H3,(H,14,15)
    MOLECULAR FORMULA
    C13H18N2S
    CROSS REFERENCES
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    canSAR1442219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 234.12
    AlogP 3.60
    HBond donors 1
    HBond acceptors 2
    Atoms 34
    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 canSAR1442219.