canSAR1711370
FEATURES
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NAMES
    SMILES
    Brc1cccc(OCCCNC2CCCC2)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C14H20BrNO.C2H2O4/c15-12-5-3-8-14(11-12)17-10-4-9-16-13-6-1-2-7-13;3-1(4)2(5)6/h3,5,8,11,13,16H,1-2,4,6-7,9-10H2;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C16H22BrNO5
    CROSS REFERENCES
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    canSAR1711370
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight387.07
    AlogP2.91
    HBond donors3
    HBond acceptors6
    Atoms45
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1711370.