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  1. InChIKey:
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Name File
SDF P-454301826.sdf
SMILES P-454301826.smiles
Standard InChI P-454301826.inchi
InChIKey P-454301826.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-454301826 Key Organics Screening Compounds and Fragments 90 unavailable
Property Value
Components 1
Mass 215.229
logP 1.9017
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 3
PSA 94.84
RO5 violations 0
RO3 violations 2
Refractivity 48.7159
Atoms 23
Rings 1
Heavy atoms 14
Hydrogen atoms 9
Heteroatoms 6
N/O atoms 5
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