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P-854966195

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Name File
SDF P-854966195.sdf
SMILES P-854966195.smiles
Standard InChI P-854966195.inchi
InChIKey P-854966195.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854966195 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 408.874
logP 3.2954
H-bond acceptors 7
H-bond donors 2
Rotatable bonds 10
PSA 99.88
RO5 violations 0
RO3 violations 5
Refractivity 108.9261
Atoms 53
Rings 2
Heavy atoms 28
Hydrogen atoms 25
Heteroatoms 8
N/O atoms 7
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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