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  1. InChIKey:
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Name File
SDF P-611401857.sdf
SMILES P-611401857.smiles
Standard InChI P-611401857.inchi
InChIKey P-611401857.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-611401857 Toronto Research In stock 90 in stock
Property Value
Components 2
Mass 94.021
logP -1.6747
H-bond acceptors 3
H-bond donors 0
Rotatable bonds 1
PSA 57.2
RO5 violations 0
RO3 violations 0
Refractivity 16.5645
Atoms 10
Rings 0
Heavy atoms 7
Hydrogen atoms 3
Heteroatoms 4
N/O atoms 3
Inorganic atoms 1
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