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MCULE-6104584037-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-1215307429-0

    2. Component type: Main
  2. 1
    1. MCULE-2809467532-0

    2. Component type: Counter Ion
Property Value
Components 2
Mass 391.390
logP 2.6929
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 2
PSA 90.88
RO5 violations 0
RO3 violations 3
Refractivity 106.5434
Atoms 47
Rings 4
Heavy atoms 29
Hydrogen atoms 18
Heteroatoms 6
N/O atoms 5
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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