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MCULE-6068326119-1

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-1052932227-1

    2. Component type: Main
  2. 1
    1. MCULE-8295936189-1

    2. Component type: Counter Ion
Property Value
Components 2
Mass 218.250
logP 1.6099
H-bond acceptors 6
H-bond donors 4
Rotatable bonds 1
PSA 102.15
RO5 violations 0
RO3 violations 3
Refractivity 55.0945
Atoms 33
Rings 1
Heavy atoms 15
Hydrogen atoms 18
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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