1013137 logo
canSAR1013137
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C1NC(=S)N/C1=C/c1cccc(-c2ccc3c(c2)COC3=O)c1
    InChI
    InChI=1S/C18H12N2O3S/c21-16-15(19-18(24)20-16)7-10-2-1-3-11(6-10)12-4-5-14-13(8-12)9-23-17(14)22/h1-8H,9H2,(H2,19,20,21,24)/b15-7+
    MOLECULAR FORMULA
    C18H12N2O3S
    CROSS REFERENCES
    1013137 logo

    canSAR1013137

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.06
    AlogP 2.37
    HBond donors 2
    HBond acceptors 5
    Atoms 36
    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 canSAR1013137.