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canSAR1092522
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NAMES
    SMILES
    Cc1cccc(C#Cc2ccc([C@H]3C[C@@H]3C(=O)O)cc2)c1
    InChI
    InChI=1S/C19H16O2/c1-13-3-2-4-15(11-13)6-5-14-7-9-16(10-8-14)17-12-18(17)19(20)21/h2-4,7-11,17-18H,12H2,1H3,(H,20,21)/t17-,18+/m1/s1
    MOLECULAR FORMULA
    C19H16O2
    CROSS REFERENCES
    1092522 logo

    canSAR1092522

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 276.12
    AlogP 3.58
    HBond donors 1
    HBond acceptors 2
    Atoms 37
    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 canSAR1092522.