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  1. InChIKey:
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Name File
SDF P-500402505.sdf
SMILES P-500402505.smiles
Standard InChI P-500402505.inchi
InChIKey P-500402505.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-500402505 Pi Chemicals Virtual Compounds 98 by synthesis
Property Value
Components 1
Mass 166.173
logP 1.4584
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 3
PSA 46.53
RO5 violations 0
RO3 violations 0
Refractivity 44.4788
Atoms 22
Rings 1
Heavy atoms 12
Hydrogen atoms 10
Heteroatoms 3
N/O atoms 3
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