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UNKNOWN STEREO

MCULE-4757947324

Compound Show structure
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  1. InChIKey:
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  3. Formula:
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  1. 1
    UNK
    1. MCULE-9831962728

    2. Component type: Main
  2. 2
    1. MCULE-5726619687

    2. Component type: Counter Ion
Property Value
Components 3
Mass 455.337
logP 1.6988
H-bond acceptors 12
H-bond donors 8
Rotatable bonds 6
PSA 235.31
RO5 violations 2
RO3 violations 5
Refractivity 108.0019
Atoms 56
Rings 2
Heavy atoms 29
Hydrogen atoms 27
Heteroatoms 14
N/O atoms 12
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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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