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P-500378683

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Name File
SDF P-500378683.sdf
SMILES P-500378683.smiles
Standard InChI P-500378683.inchi
InChIKey P-500378683.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500378683 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 2
Mass 210.661
logP 1.3548
H-bond acceptors 6
H-bond donors 5
Rotatable bonds 6
PSA 125.22
RO5 violations 0
RO3 violations 4
Refractivity 51.5
Atoms 28
Rings 0
Heavy atoms 13
Hydrogen atoms 15
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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