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  1. InChIKey:
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Name File
SDF P-854985152.sdf
SMILES P-854985152.smiles
Standard InChI P-854985152.inchi
InChIKey P-854985152.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854985152 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 237.251
logP -2.4924
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 2
PSA 89.9
RO5 violations 0
RO3 violations 2
Refractivity 44.9553
Atoms 23
Rings 2
Heavy atoms 15
Hydrogen atoms 8
Heteroatoms 7
N/O atoms 6
Inorganic atoms 1
Halogen atoms 0
Chiral centers 2
R/S chiral centers 2
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0