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P-500399117

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Name File
SDF P-500399117.sdf
SMILES P-500399117.smiles
Standard InChI P-500399117.inchi
InChIKey P-500399117.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500399117 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 556.862
logP 3.23
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 3
PSA 66.4
RO5 violations 1
RO3 violations 4
Refractivity 85.865
Atoms 22
Rings 1
Heavy atoms 16
Hydrogen atoms 6
Heteroatoms 7
N/O atoms 4
Inorganic atoms 0
Halogen atoms 3
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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