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P-500388975

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Name File
SDF P-500388975.sdf
SMILES P-500388975.smiles
Standard InChI P-500388975.inchi
InChIKey P-500388975.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500388975 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 277.359
logP 4.7441
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 6
PSA 25.17
RO5 violations 0
RO3 violations 2
Refractivity 85.0637
Atoms 40
Rings 3
Heavy atoms 21
Hydrogen atoms 19
Heteroatoms 2
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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