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P-588250676

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Name File
SDF P-588250676.sdf
SMILES P-588250676.smiles
Standard InChI P-588250676.inchi
InChIKey P-588250676.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588250676 Manchester Organics Compounds on demand N/A by synthesis
Property Value
Components 1
Mass 248.277
logP 1.66708
H-bond acceptors 5
H-bond donors 1
Rotatable bonds 7
PSA 71.35
RO5 violations 0
RO3 violations 3
Refractivity 66.3707
Atoms 34
Rings 1
Heavy atoms 18
Hydrogen atoms 16
Heteroatoms 5
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
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