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P-500400315

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Name File
SDF P-500400315.sdf
SMILES P-500400315.smiles
Standard InChI P-500400315.inchi
InChIKey P-500400315.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500400315 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 155.555
logP 2.35078
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 0
PSA 23.79
RO5 violations 0
RO3 violations 0
Refractivity 36.125
Atoms 13
Rings 1
Heavy atoms 10
Hydrogen atoms 3
Heteroatoms 3
N/O atoms 1
Inorganic atoms 0
Halogen atoms 2
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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