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canSAR1588191
FEATURES
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NAMES
    SMILES
    O=C(C1CCCN(Cc2ccccc2[N+](=O)[O-])C1)N1CCCCC1
    InChI
    InChI=1S/C18H25N3O3/c22-18(20-11-4-1-5-12-20)16-8-6-10-19(14-16)13-15-7-2-3-9-17(15)21(23)24/h2-3,7,9,16H,1,4-6,8,10-14H2
    MOLECULAR FORMULA
    C18H25N3O3
    CROSS REFERENCES
    1588191 logo

    canSAR1588191

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.19
    AlogP 2.82
    HBond donors 0
    HBond acceptors 6
    Atoms 49
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1588191.