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canSAR746880
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NAMES
    SMILES
    Cc1ccc(/C=C\c2cccc(C(F)(F)P(=O)(O)O)c2)cc1.N.N
    InChI
    InChI=1S/C16H15F2O3P.2H3N/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(11-14)16(17,18)22(19,20)21;;/h2-11H,1H3,(H2,19,20,21);2*1H3/b10-9-;;
    MOLECULAR FORMULA
    C16H21F2N2O3P
    CROSS REFERENCES
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    canSAR746880

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.13
    AlogP 4.72
    HBond donors 8
    HBond acceptors 5
    Atoms 45
    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 canSAR746880.