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P-31226642

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Name File
SDF P-31226642.sdf
SMILES P-31226642.smiles
Standard InChI P-31226642.inchi
InChIKey P-31226642.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-31226642 LaboTest Screening Collection 90 unavailable
Property Value
Components 1
Mass 129.157
logP 1.0428
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 1
PSA 63.32
RO5 violations 0
RO3 violations 1
Refractivity 33.3592
Atoms 20
Rings 1
Heavy atoms 9
Hydrogen atoms 11
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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