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canSAR1269931
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NAMES
    SMILES
    CC(=C(c1ccccc1)c1ccccc1)c1ccc([S+](C)(=N)[O-])cc1
    InChI
    InChI=1S/C22H21NOS/c1-17(18-13-15-21(16-14-18)25(2,23)24)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16H,1-2H3,(H-,23,24)
    MOLECULAR FORMULA
    C22H21NOS
    CROSS REFERENCES
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    canSAR1269931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 347.13
    AlogP 5.70
    HBond donors 1
    HBond acceptors 2
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1269931.