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  1. InChIKey:
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Name File
SDF P-867412021.sdf
SMILES P-867412021.smiles
Standard InChI P-867412021.inchi
InChIKey P-867412021.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-867412021 A2B Chem Predominantly Building Block on demand N/A by synthesis September 29, 2022
Property Value
Components 1
Mass 136.112
logP 0.0585
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 0
PSA 74.69
RO5 violations 0
RO3 violations 2
Refractivity 33.7067
Atoms 14
Rings 2
Heavy atoms 10
Hydrogen atoms 4
Heteroatoms 5
N/O atoms 5
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