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UNKNOWN STEREO

MCULE-3157840059-0

Structure Show compound
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  1. InChIKey:
  2. SMILES:
  3. Formula:
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  1. 1
    UNK
    1. MCULE-2167882955-0

    2. Component type: Main
  2. 1
    1. MCULE-7728164114-1

    2. Component type: Counter Ion
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-889924823 AA Blocks AA Blocks - synthesis N/A As is by synthesis
P-611497473 Toronto Research In stock 90 As is in stock
P-855063288 Toronto Research In stock 90 Main component in stock
P-855056566 Toronto Research In stock 90 Main component in stock
Property Value
Components 2
Mass 322.792
logP 2.5485
H-bond acceptors 7
H-bond donors 3
Rotatable bonds 4
PSA 101.88
RO5 violations 0
RO3 violations 4
Refractivity 87.3689
Atoms 41
Rings 4
Heavy atoms 22
Hydrogen atoms 19
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 2
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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