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canSAR66513
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NAMES
    SMILES
    C/C(=C\c1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCS2
    InChI
    InChI=1S/C21H22O2S/c1-14(12-15-4-6-16(7-5-15)20(22)23)17-8-9-19-18(13-17)21(2,3)10-11-24-19/h4-9,12-13H,10-11H2,1-3H3,(H,22,23)/b14-12+
    MOLECULAR FORMULA
    C21H22O2S
    CROSS REFERENCES
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    canSAR66513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 338.13
    AlogP 5.72
    HBond donors 1
    HBond acceptors 2
    Atoms 46
    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 canSAR66513.