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canSAR1635490
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NAMES
    SMILES
    CC(=O)OCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C
    InChI
    InChI=1S/C18H16N2O4/c1-12(21)24-11-17-18(13-6-4-3-5-7-13)15-10-14(20(22)23)8-9-16(15)19(17)2/h3-10H,11H2,1-2H3
    MOLECULAR FORMULA
    C18H16N2O4
    CROSS REFERENCES
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    canSAR1635490

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.11
    AlogP 3.82
    HBond donors 0
    HBond acceptors 6
    Atoms 40
    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 canSAR1635490.