1114921 logo
canSAR1114921
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCc1ccc(-c2nc3cc(NC(=O)c4cccc([N+](=O)[O-])c4)ccc3o2)cc1
    InChI
    InChI=1S/C22H17N3O4/c1-2-14-6-8-15(9-7-14)22-24-19-13-17(10-11-20(19)29-22)23-21(26)16-4-3-5-18(12-16)25(27)28/h3-13H,2H2,1H3,(H,23,26)
    MOLECULAR FORMULA
    C22H17N3O4
    CROSS REFERENCES
    1114921 logo

    canSAR1114921

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 387.12
    AlogP 5.22
    HBond donors 1
    HBond acceptors 7
    Atoms 46
    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 canSAR1114921.