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P-854976680

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Name File
SDF P-854976680.sdf
SMILES P-854976680.smiles
Standard InChI P-854976680.inchi
InChIKey P-854976680.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854976680 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 313.862
logP 4.9706
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 3
PSA 3.24
RO5 violations 0
RO3 violations 2
Refractivity 97.927
Atoms 46
Rings 3
Heavy atoms 22
Hydrogen atoms 24
Heteroatoms 2
N/O atoms 1
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
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
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