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canSAR565779
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NAMES
    SMILES
    CC(C)Cc1cn(-c2ccc(C(=O)[O-])o2)c2cc(Cl)ccc12.[Na+]
    InChI
    InChI=1S/C17H16ClNO3.Na/c1-10(2)7-11-9-19(14-8-12(18)3-4-13(11)14)16-6-5-15(22-16)17(20)21;/h3-6,8-10H,7H2,1-2H3,(H,20,21);/q;+1/p-1
    MOLECULAR FORMULA
    C17H15ClNNaO3
    CROSS REFERENCES
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    canSAR565779

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 339.06
    AlogP 0.44
    HBond donors 0
    HBond acceptors 4
    Atoms 38
    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 canSAR565779.