canSAR540166
FEATURES
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NAMES
    SMILES
    COCCc1ccc2c(c1)c1ccc3c(c1c[n+]2C)OCO3.[Cl-]
    InChI
    InChI=1S/C18H18NO3.ClH/c1-19-10-15-13(4-6-17-18(15)22-11-21-17)14-9-12(7-8-20-2)3-5-16(14)19;/h3-6,9-10H,7-8,11H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C18H18ClNO3
    CROSS REFERENCES
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    canSAR540166
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight331.10
    AlogP-0.26
    HBond donors0
    HBond acceptors4
    Atoms41
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR540166.