1616382 logo
canSAR1616382
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2c(c1OC)CO/C(=C\c1cc[n+](Cc3ccc([N+](=O)[O-])cc3)cc1)C2=O
    InChI
    InChI=1S/C24H21N2O6/c1-30-21-8-7-19-20(24(21)31-2)15-32-22(23(19)27)13-16-9-11-25(12-10-16)14-17-3-5-18(6-4-17)26(28)29/h3-13H,14-15H2,1-2H3/q+1/b22-13-
    MOLECULAR FORMULA
    C24H21N2O6+
    CROSS REFERENCES
    1616382 logo

    canSAR1616382

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.14
    AlogP 3.70
    HBond donors 0
    HBond acceptors 8
    Atoms 53
    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 canSAR1616382.