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canSAR1125527
FEATURES
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NAMES
    SMILES
    O=C1N=C(O)S/C1=C\c1ccc(OCc2ccccc2)c(Cl)c1
    InChI
    InChI=1S/C17H12ClNO3S/c18-13-8-12(9-15-16(20)19-17(21)23-15)6-7-14(13)22-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,21)/b15-9-
    MOLECULAR FORMULA
    C17H12ClNO3S
    CROSS REFERENCES
    1125527 logo

    canSAR1125527

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 345.02
    AlogP 4.45
    HBond donors 1
    HBond acceptors 4
    Atoms 35
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125527.