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MCULE-1596133739

Compound Show structure
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  1. InChIKey:
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  3. Formula:
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  1. 1
    1. MCULE-5852208511

    2. Component type: Counter Ion
  2. 1
    1. MCULE-6561885094

    2. Component type: Unknown
Property Value
Components 2
Mass 197.451
logP -3.7653
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 3
PSA 100.49
RO5 violations 0
RO3 violations 2
Refractivity 22.1628
Atoms 14
Rings 0
Heavy atoms 10
Hydrogen atoms 4
Heteroatoms 6
N/O atoms 5
Inorganic atoms 1
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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