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  1. InChIKey:
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Name File
SDF P-854967113.sdf
SMILES P-854967113.smiles
Standard InChI P-854967113.inchi
InChIKey P-854967113.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854967113 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 252.134
logP 3.3607
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 44.48
RO5 violations 0
RO3 violations 2
Refractivity 63.8814
Atoms 30
Rings 1
Heavy atoms 15
Hydrogen atoms 15
Heteroatoms 5
N/O atoms 3
Inorganic atoms 0
Halogen atoms 2
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0