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  1. InChIKey:
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Name File
SDF P-855053605.sdf
SMILES P-855053605.smiles
Standard InChI P-855053605.inchi
InChIKey P-855053605.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-855053605 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 260.312
logP 2.2142
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 1
PSA 99.11
RO5 violations 0
RO3 violations 2
Refractivity 67.3496
Atoms 33
Rings 2
Heavy atoms 17
Hydrogen atoms 16
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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