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MCULE-8936375741

Compound Show structure
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mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-503392894 Innovapharm Virtual Screening Compounds 90 As is by synthesis
Property Value
Components 1
Mass 412.460
logP 3.9638
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 6
PSA 113.73
RO5 violations 0
RO3 violations 5
Refractivity 116.9223
Atoms 49
Rings 3
Heavy atoms 29
Hydrogen atoms 20
Heteroatoms 8
N/O atoms 7
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 2
Cis/trans stereo double bonds 0
Unknown stereo double bonds 2
Undefined stereo double bonds 0
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