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  1. InChIKey:
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Name File
SDF P-870661177.sdf
SMILES P-870661177.smiles
Standard InChI P-870661177.inchi
InChIKey P-870661177.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-870661177 Glentham Life Sciences Compounds typically in stock 98 in stock
Property Value
Components 2
Mass 189.638
logP 2.1013
H-bond acceptors 3
H-bond donors 3
Rotatable bonds 2
PSA 66.48
RO5 violations 0
RO3 violations 1
Refractivity 49.9334
Atoms 24
Rings 1
Heavy atoms 12
Hydrogen atoms 12
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
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