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  1. InChIKey:
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Name File
SDF P-502395717.sdf
SMILES P-502395717.smiles
Standard InChI P-502395717.inchi
InChIKey P-502395717.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502395717 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 184.491
logP 2.3528
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 3
PSA 9.23
RO5 violations 0
RO3 violations 0
Refractivity 22.709
Atoms 12
Rings 0
Heavy atoms 10
Hydrogen atoms 2
Heteroatoms 7
N/O atoms 1
Inorganic atoms 0
Halogen atoms 6
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