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MCULE-9234881301

Compound Show structure
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  1. InChIKey:
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  1. 1
    1. MCULE-7806663709

    2. Component type: Main
  2. 1
    1. MCULE-9925206507

    2. Component type: Counter Ion
Property Value
Components 2
Mass 406.585
logP 4.91658
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 4
PSA 43.87
RO5 violations 0
RO3 violations 3
Refractivity 122.4104
Atoms 59
Rings 3
Heavy atoms 29
Hydrogen atoms 30
Heteroatoms 4
N/O atoms 3
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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