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MCULE-5900920109-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-2035261429-0

    2. Component type: Main
  2. 1
    1. MCULE-6647815245-1

    2. Component type: Counter Ion
Property Value
Components 2
Mass 413.505
logP 3.3836
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 6
PSA 114.27
RO5 violations 0
RO3 violations 5
Refractivity 119.2525
Atoms 61
Rings 3
Heavy atoms 30
Hydrogen atoms 31
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 4
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 4
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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