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  1. InChIKey:
  2. SMILES:
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Name File
SDF P-855369454.sdf
SMILES P-855369454.smiles
Standard InChI P-855369454.inchi
InChIKey P-855369454.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-855369454 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 284.352
logP 3.171
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 2
PSA 53.43
RO5 violations 0
RO3 violations 2
Refractivity 86.5293
Atoms 41
Rings 3
Heavy atoms 21
Hydrogen atoms 20
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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