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  1. InChIKey:
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Name File
SDF P-611402940.sdf
SMILES P-611402940.smiles
Standard InChI P-611402940.inchi
InChIKey P-611402940.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611402940 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 324.326
logP 3.3152
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 4
PSA 87.74
RO5 violations 0
RO3 violations 5
Refractivity 90.604
Atoms 40
Rings 3
Heavy atoms 24
Hydrogen atoms 16
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0