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UNKNOWN STEREO

MCULE-4955409695

Compound Show structure
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  1. InChIKey:
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  3. Formula:
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  1. 2
    UNK
    1. MCULE-2031417404

    2. Component type: Main
  2. 1
    1. MCULE-1504889908

    2. Component type: Counter Ion
Property Value
Components 3
Mass 548.649
logP 4.2484
H-bond acceptors 12
H-bond donors 10
Rotatable bonds 8
PSA 228.42
RO5 violations 3
RO3 violations 6
Refractivity 141.2026
Atoms 77
Rings 2
Heavy atoms 37
Hydrogen atoms 40
Heteroatoms 13
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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