1526008 logo
canSAR1526008
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Brc1cccc(OCCOCCn2ccnc2)c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C13H15BrN2O2.C2H2O4/c14-12-2-1-3-13(10-12)18-9-8-17-7-6-16-5-4-15-11-16;3-1(4)2(5)6/h1-5,10-11H,6-9H2;(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C15H17BrN2O6
    CROSS REFERENCES
    1526008 logo

    canSAR1526008

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.03
    AlogP 1.90
    HBond donors 2
    HBond acceptors 8
    Atoms 41
    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 canSAR1526008.