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canSAR558611
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NAMES
    SMILES
    C=CCCCCN/N=C(\C)C(=O)[O-].[Na+]
    InChI
    InChI=1S/C9H16N2O2.Na/c1-3-4-5-6-7-10-11-8(2)9(12)13;/h3,10H,1,4-7H2,2H3,(H,12,13);/q;+1/p-1/b11-8+;
    MOLECULAR FORMULA
    C9H15N2NaO2
    CROSS REFERENCES
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    canSAR558611

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 206.10
    AlogP -2.94
    HBond donors 1
    HBond acceptors 4
    Atoms 29
    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 canSAR558611.