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MCULE-6210943437-0

Structure Show compound
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  1. InChIKey:
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  3. Formula:
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  1. 1
    1. MCULE-6599343931-0

    2. Component type: Main
  2. 1
    1. MCULE-9920754312-0

    2. Component type: Counter Ion
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-854391174 InterBioScreen Screening Compounds 92 As is in stock April 25
P-13524068 Pharmeks Synthetic compounds 92 As is in stock November 2, 2012
P-852046266 VITAS M CHEMICAL LIMITED Screening compounds 90 Main component 2 mg August 9
Property Value
Components 2
Mass 529.465
logP 4.7708
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 6
PSA 81.08
RO5 violations 1
RO3 violations 5
Refractivity 144.9506
Atoms 67
Rings 4
Heavy atoms 34
Hydrogen atoms 33
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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