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canSAR1980658
FEATURES
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NAMES
    SMILES
    Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1[N+](=O)[O-].O=C(O)C(=O)O
    InChI
    InChI=1S/C14H13N3O4.C2H2O4/c1-10-8-12(16(18)19)6-7-13(10)15-9-11-4-2-3-5-14(11)17(20)21;3-1(4)2(5)6/h2-8,15H,9H2,1H3;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C16H15N3O8
    CROSS REFERENCES
    1980658 logo

    canSAR1980658

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 377.09
    AlogP 2.58
    HBond donors 3
    HBond acceptors 11
    Atoms 42
    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 canSAR1980658.