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MCULE-1815030831-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-3209546412-0

    2. Component type: Main
  2. 1
    1. MCULE-3833394421-0

    2. Component type: Counter Ion
Property Value
Components 2
Mass 437.402
logP -1.4353
H-bond acceptors 11
H-bond donors 3
Rotatable bonds 11
PSA 204.46
RO5 violations 1
RO3 violations 4
Refractivity 97.5214
Atoms 49
Rings 2
Heavy atoms 29
Hydrogen atoms 20
Heteroatoms 13
N/O atoms 11
Inorganic atoms 1
Halogen atoms 0
Chiral centers 3
R/S chiral centers 3
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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