canSAR2167074
FEATURES
Loading...
NAMES
    SMILES
    CC[C@]1(C)CCC2=C1CC[C@H]1[C@H]2C[C@@H](Cl)C2=C[C@@H](O)[C@@H]3C[C@@]21C(=O)O3
    InChI
    InChI=1S/C21H27ClO3/c1-3-20(2)7-6-11-12-8-16(22)15-9-17(23)18-10-21(15,19(24)25-18)14(12)5-4-13(11)20/h9,12,14,16-18,23H,3-8,10H2,1-2H3/t12-,14-,16+,17+,18-,20+,21-/m0/s1
    MOLECULAR FORMULA
    C21H27ClO3
    CROSS REFERENCES
    Loading...
    canSAR2167074
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight362.16
    AlogP4.13
    HBond donors1
    HBond acceptors3
    Atoms52
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2167074.