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P-500406399

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Name File
SDF P-500406399.sdf
SMILES P-500406399.smiles
Standard InChI P-500406399.inchi
InChIKey P-500406399.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500406399 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 235.070
logP -0.963
H-bond acceptors 8
H-bond donors 6
Rotatable bonds 4
PSA 180.93
RO5 violations 1
RO3 violations 4
Refractivity 42.4164
Atoms 24
Rings 0
Heavy atoms 13
Hydrogen atoms 11
Heteroatoms 10
N/O atoms 8
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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