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  1. InChIKey:
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Name File
SDF P-584353055.sdf
SMILES P-584353055.smiles
Standard InChI P-584353055.inchi
InChIKey P-584353055.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-584353055 ChemScene Stock compounds 98 unavailable Yesterday
Property Value
Components 2
Mass 205.630
logP 3.2817
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 1
PSA 26.02
RO5 violations 0
RO3 violations 1
Refractivity 48.4964
Atoms 23
Rings 2
Heavy atoms 13
Hydrogen atoms 10
Heteroatoms 4
N/O atoms 1
Inorganic atoms 0
Halogen atoms 3
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0