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MCULE-4477961630

Compound Show structure
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  1. InChIKey:
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  3. Formula:
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  1. 1
    1. MCULE-8896614396

    2. Component type: Main
  2. 1
    1. MCULE-7245694496

    2. Component type: Counter Ion
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-892938390 A2B Chem Predominantly Building Block on demand N/A As is by synthesis
P-33405096 TimTec ActiMol 2 Week 90 Main component as a main component in stock
P-33409782 TimTec ActiMol 2 Week 90 Main component as a main component in stock
Property Value
Components 2
Mass 415.546
logP 3.7309
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 7
PSA 101.11
RO5 violations 0
RO3 violations 5
Refractivity 112.8214
Atoms 61
Rings 2
Heavy atoms 28
Hydrogen atoms 33
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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