126952 logo
canSAR126952
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=[N+]([O-])c1ccc(S(=O)(=O)NCCCCc2c[nH]cn2)cc1
    InChI
    InChI=1S/C13H16N4O4S/c18-17(19)12-4-6-13(7-5-12)22(20,21)16-8-2-1-3-11-9-14-10-15-11/h4-7,9-10,16H,1-3,8H2,(H,14,15)
    MOLECULAR FORMULA
    C13H16N4O4S
    CROSS REFERENCES
    126952 logo

    canSAR126952

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.09
    AlogP 1.62
    HBond donors 2
    HBond acceptors 8
    Atoms 38
    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 canSAR126952.