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canSAR1999067
FEATURES
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NAMES
    SMILES
    COc1ccc([N+](=O)[O-])cc1NC1CCCCC1.O=C(O)C(=O)O
    InChI
    InChI=1S/C13H18N2O3.C2H2O4/c1-18-13-8-7-11(15(16)17)9-12(13)14-10-5-3-2-4-6-10;3-1(4)2(5)6/h7-10,14H,2-6H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C15H20N2O7
    CROSS REFERENCES
    1999067 logo

    canSAR1999067

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 340.13
    AlogP 2.50
    HBond donors 3
    HBond acceptors 9
    Atoms 44
    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 canSAR1999067.