1690830 logo
canSAR1690830
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1
    InChI
    InChI=1S/C17H14N4O3S/c1-11(16-9-12-5-2-3-8-15(12)24-16)19-20-17(25)18-13-6-4-7-14(10-13)21(22)23/h2-10H,1H3,(H2,18,20,25)/b19-11+
    MOLECULAR FORMULA
    C17H14N4O3S
    CROSS REFERENCES
    1690830 logo

    canSAR1690830

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 354.08
    AlogP 4.05
    HBond donors 2
    HBond acceptors 7
    Atoms 39
    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 canSAR1690830.