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  1. InChIKey:
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Name File
SDF P-852552140.sdf
SMILES P-852552140.smiles
Standard InChI P-852552140.inchi
InChIKey P-852552140.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-852552140 Matrix Scientific All N/A in stock
Property Value
Components 2
Mass 249.777
logP 4.525
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 4
PSA 12.03
RO5 violations 0
RO3 violations 2
Refractivity 80.6427
Atoms 37
Rings 2
Heavy atoms 17
Hydrogen atoms 20
Heteroatoms 2
N/O atoms 1
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0