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P-500405426

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Name File
SDF P-500405426.sdf
SMILES P-500405426.smiles
Standard InChI P-500405426.inchi
InChIKey P-500405426.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500405426 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 2
Mass 442.221
logP -0.5218
H-bond acceptors 11
H-bond donors 6
Rotatable bonds 5
PSA 177.26
RO5 violations 2
RO3 violations 5
Refractivity 104.9806
Atoms 43
Rings 3
Heavy atoms 27
Hydrogen atoms 16
Heteroatoms 12
N/O atoms 11
Inorganic atoms 0
Halogen atoms 1
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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