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  1. InChIKey:
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Name File
SDF P-873216713.sdf
SMILES P-873216713.smiles
Standard InChI P-873216713.inchi
InChIKey P-873216713.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-873216713 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 213.317
logP 3.723
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 4
PSA 12.03
RO5 violations 0
RO3 violations 2
Refractivity 73.6777
Atoms 35
Rings 2
Heavy atoms 16
Hydrogen atoms 19
Heteroatoms 1
N/O atoms 1
Inorganic atoms 0
Halogen atoms 0
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