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P-611452254

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Name File
SDF P-611452254.sdf
SMILES P-611452254.smiles
Standard InChI P-611452254.inchi
InChIKey P-611452254.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611452254 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 399.955
logP 6.0454
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 9
PSA 37.39
RO5 violations 1
RO3 violations 4
Refractivity 121.4087
Atoms 58
Rings 3
Heavy atoms 28
Hydrogen atoms 30
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
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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