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P-500377297

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Name File
SDF P-500377297.sdf
SMILES P-500377297.smiles
Standard InChI P-500377297.inchi
InChIKey P-500377297.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500377297 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 249.291
logP 3.1996
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 3
PSA 93.46
RO5 violations 0
RO3 violations 3
Refractivity 65.7551
Atoms 28
Rings 2
Heavy atoms 17
Hydrogen atoms 11
Heteroatoms 6
N/O atoms 5
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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