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  1. InChIKey:
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Name File
SDF P-852094273.sdf
SMILES P-852094273.smiles
Standard InChI P-852094273.inchi
InChIKey P-852094273.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-852094273 A2B Chem All N/A in stock April 11
Property Value
Components 1
Mass 116.072
logP -0.2882
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 2
PSA 74.6
RO5 violations 0
RO3 violations 2
Refractivity 24.4116
Atoms 12
Rings 0
Heavy atoms 8
Hydrogen atoms 4
Heteroatoms 4
N/O atoms 4
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0