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MCULE-2592123199-0

Structure Show compound
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  1. InChIKey:
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  1. 1
    1. MCULE-2355218887-1

    2. Component type: Main
  2. 1
    1. MCULE-5932450224-0

    2. Component type: Counter Ion
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580008923 Innovapharm Screening Compounds 90 As is in stock
P-675515302 Innovapharm Virtual Screening Compounds 90 Main component as a main component by synthesis
Property Value
Components 2
Mass 246.343
logP 0.8045
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 3
PSA 60.36
RO5 violations 0
RO3 violations 1
Refractivity 56.3333
Atoms 31
Rings 1
Heavy atoms 16
Hydrogen atoms 15
Heteroatoms 4
N/O atoms 3
Inorganic atoms 1
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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