548627 logo
canSAR548627
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCC[N+](CC)(CC)C/C=C\Cc1cccc(Cl)c1Cl.Cc1ccc(S(=O)(=O)[O-])cc1
    InChI
    InChI=1S/C21H34Cl2N.C7H8O3S/c1-4-7-8-9-11-17-24(5-2,6-3)18-12-10-14-19-15-13-16-20(22)21(19)23;1-6-2-4-7(5-3-6)11(8,9)10/h10,12-13,15-16H,4-9,11,14,17-18H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b12-10-;
    MOLECULAR FORMULA
    C28H41Cl2NO3S
    CROSS REFERENCES
    548627 logo

    canSAR548627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 541.22
    AlogP 7.82
    HBond donors 0
    HBond acceptors 4
    Atoms 76
    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 canSAR548627.