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P-611400491

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Name File
SDF P-611400491.sdf
SMILES P-611400491.smiles
Standard InChI P-611400491.inchi
InChIKey P-611400491.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-611400491 Toronto Research In stock N/A in stock June 25, 2020
Property Value
Components 2
Mass 317.232
logP 1.3151
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 3
PSA 66.07
RO5 violations 0
RO3 violations 3
Refractivity 80.503
Atoms 36
Rings 2
Heavy atoms 18
Hydrogen atoms 18
Heteroatoms 8
N/O atoms 5
Inorganic atoms 0
Halogen atoms 2
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
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