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P-454304378

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Name File
SDF P-454304378.sdf
SMILES P-454304378.smiles
Standard InChI P-454304378.inchi
InChIKey P-454304378.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-454304378 Key Organics Screening Compounds and Fragments 90 unavailable
Property Value
Components 1
Mass 216.300
logP 3.5415
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 3
PSA 45.31
RO5 violations 0
RO3 violations 1
Refractivity 63.9665
Atoms 27
Rings 2
Heavy atoms 15
Hydrogen atoms 12
Heteroatoms 2
N/O atoms 1
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
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