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MCULE-2374148490-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-7625478474-0

    2. Component type: Main
  2. 1
    1. MCULE-9920754312-1

    2. Component type: Counter Ion
Property Value
Components 2
Mass 448.510
logP 1.7986
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 5
PSA 114.99
RO5 violations 0
RO3 violations 4
Refractivity 125.2678
Atoms 61
Rings 4
Heavy atoms 33
Hydrogen atoms 28
Heteroatoms 7
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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