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UNKNOWN STEREO

P-500374562

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Name File
SDF P-500374562.sdf
SMILES P-500374562.smiles
Standard InChI P-500374562.inchi
InChIKey P-500374562.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500374562 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 213.187
logP 0.2434
H-bond acceptors 6
H-bond donors 5
Rotatable bonds 3
PSA 124.01
RO5 violations 0
RO3 violations 3
Refractivity 50.709
Atoms 26
Rings 1
Heavy atoms 15
Hydrogen atoms 11
Heteroatoms 6
N/O atoms 6
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 2
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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