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MCULE-1413678341

Compound Show structure
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  1. InChIKey:
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  1. 1
    1. MCULE-5564554295

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

    2. Component type: Counter Ion
Property Value
Components 2
Mass 429.387
logP 5.1115
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 5
PSA 86.63
RO5 violations 1
RO3 violations 5
Refractivity 107.2583
Atoms 49
Rings 4
Heavy atoms 31
Hydrogen atoms 18
Heteroatoms 8
N/O atoms 5
Inorganic atoms 0
Halogen atoms 3
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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