2086794 logo
canSAR2086794
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=c1[nH]c(=O)n([C@H]2CC[C@@H](CO)C2)cc1I
    InChI
    InChI=1S/C10H13IN2O3/c11-8-4-13(10(16)12-9(8)15)7-2-1-6(3-7)5-14/h4,6-7,14H,1-3,5H2,(H,12,15,16)/t6-,7+/m1/s1
    MOLECULAR FORMULA
    C10H13IN2O3
    CROSS REFERENCES
    2086794 logo

    canSAR2086794

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.00
    AlogP 0.47
    HBond donors 2
    HBond acceptors 5
    Atoms 29
    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 canSAR2086794.