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  1. InChIKey:
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Name File
SDF P-611356984.sdf
SMILES P-611356984.smiles
Standard InChI P-611356984.inchi
InChIKey P-611356984.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611356984 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 457.475
logP 2.1317
H-bond acceptors 10
H-bond donors 2
Rotatable bonds 2
PSA 137.76
RO5 violations 0
RO3 violations 3
Refractivity 119.2891
Atoms 55
Rings 4
Heavy atoms 31
Hydrogen atoms 24
Heteroatoms 12
N/O atoms 10
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