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MCULE-9103797903-1

Structure Show compound
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    1. MCULE-2457209929-1

    2. Component type: Main
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500412690 Pi Chemicals Virtual Compounds 98 As a main component by synthesis
Property Value
Components 1
Mass 418.370
logP 2.3037
H-bond acceptors 8
H-bond donors 1
Rotatable bonds 3
PSA 107.19
RO5 violations 0
RO3 violations 3
Refractivity 104.6198
Atoms 48
Rings 4
Heavy atoms 30
Hydrogen atoms 18
Heteroatoms 10
N/O atoms 8
Inorganic atoms 0
Halogen atoms 2
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 1
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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