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P-500388034

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Name File
SDF P-500388034.sdf
SMILES P-500388034.smiles
Standard InChI P-500388034.inchi
InChIKey P-500388034.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500388034 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 333.357
logP 1.6134
H-bond acceptors 6
H-bond donors 1
Rotatable bonds 3
PSA 65.78
RO5 violations 0
RO3 violations 3
Refractivity 97.4543
Atoms 44
Rings 3
Heavy atoms 24
Hydrogen atoms 20
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
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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