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MCULE-1628917597-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-6725988820-0

    2. Component type: Main
  2. 2
    1. MCULE-5932450224-0

    2. Component type: Counter Ion
Property Value
Components 3
Mass 419.638
logP 1.4531
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 17
PSA 109.36
RO5 violations 0
RO3 violations 4
Refractivity 91.3007
Atoms 57
Rings 0
Heavy atoms 26
Hydrogen atoms 31
Heteroatoms 8
N/O atoms 6
Inorganic atoms 2
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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