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P-500382162

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Name File
SDF P-500382162.sdf
SMILES P-500382162.smiles
Standard InChI P-500382162.inchi
InChIKey P-500382162.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500382162 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 203.237
logP 2.5752
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 4
PSA 53.09
RO5 violations 0
RO3 violations 1
Refractivity 59.4575
Atoms 28
Rings 2
Heavy atoms 15
Hydrogen atoms 13
Heteroatoms 3
N/O atoms 3
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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