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  1. InChIKey:
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Name File
SDF P-502347365.sdf
SMILES P-502347365.smiles
Standard InChI P-502347365.inchi
InChIKey P-502347365.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502347365 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 166.220
logP 1.9903
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 2
PSA 38.06
RO5 violations 0
RO3 violations 0
Refractivity 50.2657
Atoms 26
Rings 2
Heavy atoms 12
Hydrogen atoms 14
Heteroatoms 3
N/O atoms 3
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