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MCULE-5252654764-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-1355168927-0

    2. Component type: Main
  2. 1
    1. MCULE-6152801555-1

    2. Component type: Counter Ion
Property Value
Components 2
Mass 333.212
logP 3.1123
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 5
PSA 36.42
RO5 violations 0
RO3 violations 3
Refractivity 80.0224
Atoms 36
Rings 1
Heavy atoms 16
Hydrogen atoms 20
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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