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P-500406128

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Name File
SDF P-500406128.sdf
SMILES P-500406128.smiles
Standard InChI P-500406128.inchi
InChIKey P-500406128.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500406128 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 214.643
logP 2.582
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 3
PSA 46.53
RO5 violations 0
RO3 violations 0
Refractivity 54.1748
Atoms 25
Rings 1
Heavy atoms 14
Hydrogen atoms 11
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
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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