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P-596499338

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Name File
SDF P-596499338.sdf
SMILES P-596499338.smiles
Standard InChI P-596499338.inchi
InChIKey P-596499338.txt
Property Value
Components 1
Mass 165.207
logP 2.579
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 1
PSA 12.03
RO5 violations 0
RO3 violations 0
Refractivity 50.3897
Atoms 24
Rings 2
Heavy atoms 12
Hydrogen atoms 12
Heteroatoms 2
N/O atoms 1
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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