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P-500375754

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Name File
SDF P-500375754.sdf
SMILES P-500375754.smiles
Standard InChI P-500375754.inchi
InChIKey P-500375754.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500375754 Pi Chemicals Virtual Compounds 88 by synthesis
Property Value
Components 1
Mass 280.445
logP 5.8845
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 14
PSA 37.3
RO5 violations 1
RO3 violations 2
Refractivity 89.4638
Atoms 52
Rings 0
Heavy atoms 20
Hydrogen atoms 32
Heteroatoms 2
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 2
Cis/trans stereo double bonds 0
Unknown stereo double bonds 2
Undefined stereo double bonds 0
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