549292 logo
canSAR549292
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC[N+](CC)(CCO)CCCCCCCCCCCCCCCC[N+](CC)(CC)CCOC.[Br-].[Br-]
    InChI
    InChI=1S/C29H64N2O2.2BrH/c1-6-30(7-2,26-28-32)24-22-20-18-16-14-12-10-11-13-15-17-19-21-23-25-31(8-3,9-4)27-29-33-5;;/h32H,6-29H2,1-5H3;2*1H/q+2;;/p-2
    MOLECULAR FORMULA
    C29H64Br2N2O2
    CROSS REFERENCES
    549292 logo

    canSAR549292

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 630.33
    AlogP 0.81
    HBond donors 1
    HBond acceptors 4
    Atoms 99
    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 canSAR549292.