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MCULE-2641520915-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-1597595147-0

    2. Component type: Main
  2. 1
    1. MCULE-2809467532-1

    2. Component type: Counter Ion
Property Value
Components 2
Mass 444.691
logP 6.109
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 21
PSA 87.66
RO5 violations 1
RO3 violations 5
Refractivity 132.6532
Atoms 83
Rings 0
Heavy atoms 31
Hydrogen atoms 52
Heteroatoms 6
N/O atoms 6
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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