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  1. InChIKey:
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Name File
SDF P-873229200.sdf
SMILES P-873229200.smiles
Standard InChI P-873229200.inchi
InChIKey P-873229200.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-873229200 TimTec Building Block Collection 90 in stock
Property Value
Components 1
Mass 189.260
logP 1.8227
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 1
PSA 102.56
RO5 violations 0
RO3 violations 1
Refractivity 46.3303
Atoms 18
Rings 1
Heavy atoms 11
Hydrogen atoms 7
Heteroatoms 5
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