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canSAR1015695
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NAMES
    SMILES
    CCCc1ccncc1C#Cc1cc(Cl)ccc1OCC(=O)O
    InChI
    InChI=1S/C18H16ClNO3/c1-2-3-13-8-9-20-11-15(13)5-4-14-10-16(19)6-7-17(14)23-12-18(21)22/h6-11H,2-3,12H2,1H3,(H,21,22)
    MOLECULAR FORMULA
    C18H16ClNO3
    CROSS REFERENCES
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    canSAR1015695

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 329.08
    AlogP 3.55
    HBond donors 1
    HBond acceptors 4
    Atoms 39
    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 canSAR1015695.