1615404 logo
canSAR1615404
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)C(O)(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C21H16N4O7/c26-19-14(11-17(24(29)30)12-18(19)25(31)32)13-22-23-20(27)21(28,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,26,28H,(H,23,27)/b22-13+
    MOLECULAR FORMULA
    C21H16N4O7
    CROSS REFERENCES
    1615404 logo

    canSAR1615404

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 436.10
    AlogP 2.59
    HBond donors 3
    HBond acceptors 11
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1615404.