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  1. InChIKey:
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Name File
SDF P-611619272.sdf
SMILES P-611619272.smiles
Standard InChI P-611619272.inchi
InChIKey P-611619272.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-611619272 Toronto Research In stock N/A in stock June 25, 2020
Property Value
Components 2
Mass 490.469
logP 2.5667
H-bond acceptors 9
H-bond donors 3
Rotatable bonds 12
PSA 133.24
RO5 violations 0
RO3 violations 4
Refractivity 118.3453
Atoms 63
Rings 2
Heavy atoms 34
Hydrogen atoms 29
Heteroatoms 12
N/O atoms 9
Inorganic atoms 0
Halogen atoms 3
Chiral centers 3
R/S chiral centers 3
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