548888 logo
canSAR548888
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)[n+]1c(C)cc(C)cc1C
    InChI
    InChI=1S/C39H70NO4/c1-6-8-10-12-14-16-18-20-22-24-26-28-38(41)43-32-37(40-35(4)30-34(3)31-36(40)5)33-44-39(42)29-27-25-23-21-19-17-15-13-11-9-7-2/h30-31,37H,6-29,32-33H2,1-5H3/q+1
    MOLECULAR FORMULA
    C39H70NO4+
    CROSS REFERENCES
    548888 logo

    canSAR548888

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 616.53
    AlogP 10.93
    HBond donors 0
    HBond acceptors 5
    Atoms 114
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR548888.