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  1. InChIKey:
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Name File
SDF P-611452610.sdf
SMILES P-611452610.smiles
Standard InChI P-611452610.inchi
InChIKey P-611452610.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611452610 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 419.974
logP 4.0796
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 7
PSA 163.8
RO5 violations 0
RO3 violations 5
Refractivity 97.7641
Atoms 46
Rings 2
Heavy atoms 24
Hydrogen atoms 22
Heteroatoms 12
N/O atoms 8
Inorganic atoms 0
Halogen atoms 1
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