498401 logo
canSAR498401
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)Oc1cc(C(=O)C2(c3ccccc3)CCCCC2)cc([N+](=O)[O-])c1OC(C)=O
    InChI
    InChI=1S/C23H23NO7/c1-15(25)30-20-14-17(13-19(24(28)29)21(20)31-16(2)26)22(27)23(11-7-4-8-12-23)18-9-5-3-6-10-18/h3,5-6,9-10,13-14H,4,7-8,11-12H2,1-2H3
    MOLECULAR FORMULA
    C23H23NO7
    CROSS REFERENCES
    498401 logo

    canSAR498401

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.15
    AlogP 4.53
    HBond donors 0
    HBond acceptors 8
    Atoms 54
    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 canSAR498401.