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MCULE-4435475011-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-4073973641-0

    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-524194588 Key Organics Building Blocks 98 As is unavailable October 1
P-524184307 Key Organics Building Blocks 95 Main component unavailable October 1
P-579457210 Key Organics Building Blocks 97 Main component as a main component unavailable October 1
Property Value
Components 2
Mass 367.349
logP -1.8073
H-bond acceptors 11
H-bond donors 6
Rotatable bonds 6
PSA 189.0
RO5 violations 2
RO3 violations 5
Refractivity 80.3274
Atoms 50
Rings 2
Heavy atoms 25
Hydrogen atoms 25
Heteroatoms 11
N/O atoms 11
Inorganic atoms 0
Halogen atoms 0
Chiral centers 6
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 6
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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