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P-588710754

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Name File
SDF P-588710754.sdf
SMILES P-588710754.smiles
Standard InChI P-588710754.inchi
InChIKey P-588710754.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588710754 Key Organics Building Blocks 95 unavailable
Property Value
Components 2
Mass 253.792
logP 3.3135
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 0
PSA 3.88
RO5 violations 0
RO3 violations 1
Refractivity 45.483
Atoms 17
Rings 1
Heavy atoms 14
Hydrogen atoms 3
Heteroatoms 9
N/O atoms 1
Inorganic atoms 0
Halogen atoms 7
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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