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MCULE-6177707042-0

Structure Show compound
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  1. InChIKey:
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  3. Formula:
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  1. 1
    1. MCULE-4509330001-1

    2. Component type: Main
  2. 1
    1. MCULE-3833394421-0

    2. Component type: Counter Ion
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-504021805 Innovapharm Virtual Screening Compounds 90 As is by synthesis
P-504021319 Innovapharm Virtual Screening Compounds 90 Main component as a main component by synthesis
P-504022189 Innovapharm Virtual Screening Compounds 90 Main component as a main component by synthesis
Property Value
Components 2
Mass 234.180
logP 0.0759
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 4
PSA 67.82
RO5 violations 0
RO3 violations 3
Refractivity 50.935
Atoms 27
Rings 1
Heavy atoms 16
Hydrogen atoms 11
Heteroatoms 6
N/O atoms 5
Inorganic atoms 1
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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