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MCULE-2601498282-0

Structure Show compound
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  1. InChIKey:
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  1. 2
    1. MCULE-4339169985-0

    2. Component type: Main
  2. 1
    1. MCULE-3867000095-0

    2. Component type: Counter Ion
mcule product ID Supplier Catalog Purity (%) Product matching Availability Updated
P-524167115 Key Organics Building Blocks 95 As is unavailable October 1
Property Value
Components 3
Mass 584.699
logP 2.943
H-bond acceptors 10
H-bond donors 8
Rotatable bonds 3
PSA 179.58
RO5 violations 2
RO3 violations 4
Refractivity 166.431
Atoms 86
Rings 6
Heavy atoms 42
Hydrogen atoms 44
Heteroatoms 10
N/O atoms 10
Inorganic atoms 0
Halogen atoms 0
Chiral centers 5
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 5
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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