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  1. InChIKey:
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Name File
SDF P-854997600.sdf
SMILES P-854997600.smiles
Standard InChI P-854997600.inchi
InChIKey P-854997600.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-854997600 Toronto Research In stock 90 in stock
Property Value
Components 1
Mass 188.269
logP 3.148
H-bond acceptors 2
H-bond donors 2
Rotatable bonds 3
PSA 41.81
RO5 violations 0
RO3 violations 1
Refractivity 60.3931
Atoms 30
Rings 2
Heavy atoms 14
Hydrogen atoms 16
Heteroatoms 2
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0