1533563 logo
canSAR1533563
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc([N+](=O)[O-])o1
    InChI
    InChI=1S/C14H11N3O6/c18-13(6-9-1-3-11-12(5-9)22-8-21-11)16-15-7-10-2-4-14(23-10)17(19)20/h1-5,7H,6,8H2,(H,16,18)/b15-7+
    MOLECULAR FORMULA
    C14H11N3O6
    CROSS REFERENCES
    1533563 logo

    canSAR1533563

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 317.06
    AlogP 1.61
    HBond donors 1
    HBond acceptors 9
    Atoms 34
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1533563.