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P-500397637

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Name File
SDF P-500397637.sdf
SMILES P-500397637.smiles
Standard InChI P-500397637.inchi
InChIKey P-500397637.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500397637 Pi Chemicals Virtual Compounds 96 by synthesis
Property Value
Components 1
Mass 115.130
logP 0.2139
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 3
PSA 49.33
RO5 violations 0
RO3 violations 0
Refractivity 28.6085
Atoms 17
Rings 1
Heavy atoms 8
Hydrogen atoms 9
Heteroatoms 3
N/O atoms 3
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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