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P-854983628

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Name File
SDF P-854983628.sdf
SMILES P-854983628.smiles
Standard InChI P-854983628.inchi
InChIKey P-854983628.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854983628 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 121.161
logP 0.0284
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 2
PSA 102.12
RO5 violations 0
RO3 violations 1
Refractivity 28.9432
Atoms 14
Rings 0
Heavy atoms 7
Hydrogen atoms 7
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
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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