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MCULE-4049007425

Compound Show structure
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  1. InChIKey:
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  3. Formula:
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  1. 2
    1. MCULE-9743820028

    2. Component type: Main
  2. 1
    1. MCULE-1504889908

    2. Component type: Counter Ion
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580377108 Debye Scientific General Catalog N/A Main component as a main component by resynthesis (? - ? days)
Property Value
Components 3
Mass 917.629
logP 19.1124
H-bond acceptors 6
H-bond donors 0
Rotatable bonds 48
PSA 88.64
RO5 violations 2
RO3 violations 5
Refractivity 288.6876
Atoms 183
Rings 0
Heavy atoms 63
Hydrogen atoms 120
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
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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