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  1. InChIKey:
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Name File
SDF P-855042591.sdf
SMILES P-855042591.smiles
Standard InChI P-855042591.inchi
InChIKey P-855042591.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-855042591 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 189.167
logP 1.6386
H-bond acceptors 4
H-bond donors 2
Rotatable bonds 1
PSA 70.42
RO5 violations 0
RO3 violations 2
Refractivity 50.7253
Atoms 21
Rings 2
Heavy atoms 14
Hydrogen atoms 7
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0