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  1. InChIKey:
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Name File
SDF P-502335689.sdf
SMILES P-502335689.smiles
Standard InChI P-502335689.inchi
InChIKey P-502335689.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-502335689 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 162.231
logP 1.7862
H-bond acceptors 2
H-bond donors 0
Rotatable bonds 1
PSA 16.13
RO5 violations 0
RO3 violations 0
Refractivity 53.128
Atoms 26
Rings 2
Heavy atoms 12
Hydrogen atoms 14
Heteroatoms 2
N/O atoms 2
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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