655300 logo
canSAR655300
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(NCCCCCC/N=C/c1cc(I)ccc1O)c1ccccc1O
    InChI
    InChI=1S/C20H23IN2O3/c21-16-9-10-18(24)15(13-16)14-22-11-5-1-2-6-12-23-20(26)17-7-3-4-8-19(17)25/h3-4,7-10,13-14,24-25H,1-2,5-6,11-12H2,(H,23,26)/b22-14+
    MOLECULAR FORMULA
    C20H23IN2O3
    CROSS REFERENCES
    655300 logo

    canSAR655300

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 466.08
    AlogP 4.11
    HBond donors 3
    HBond acceptors 5
    Atoms 49
    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 canSAR655300.