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canSAR985499
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NAMES
    SMILES
    C=CCc1c(C#Cc2ccc(CCC(=O)O)cc2)ccnc1Cl
    InChI
    InChI=1S/C19H16ClNO2/c1-2-3-17-16(12-13-21-19(17)20)10-8-14-4-6-15(7-5-14)9-11-18(22)23/h2,4-7,12-13H,1,3,9,11H2,(H,22,23)
    MOLECULAR FORMULA
    C19H16ClNO2
    CROSS REFERENCES
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    canSAR985499

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 325.09
    AlogP 3.88
    HBond donors 1
    HBond acceptors 3
    Atoms 39
    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 canSAR985499.