2095797 logo
canSAR2095797
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCO[C@H]1CN(CC2CCOCC2)[C@@H]2CCCO[C@H]12.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C15H27NO3.C2HF3O2/c1-2-18-14-11-16(10-12-5-8-17-9-6-12)13-4-3-7-19-15(13)14;3-2(4,5)1(6)7/h12-15H,2-11H2,1H3;(H,6,7)/t13-,14+,15+;/m1./s1
    MOLECULAR FORMULA
    C17H28F3NO5
    CROSS REFERENCES
    2095797 logo

    canSAR2095797

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 383.19
    AlogP 2.31
    HBond donors 1
    HBond acceptors 6
    Atoms 54
    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 canSAR2095797.