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P-616436491

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Name File
SDF P-616436491.sdf
SMILES P-616436491.smiles
Standard InChI P-616436491.inchi
InChIKey P-616436491.txt
Property Value
Components 1
Mass 378.849
logP 4.1384
H-bond acceptors 4
H-bond donors 0
Rotatable bonds 5
PSA 41.9
RO5 violations 0
RO3 violations 4
Refractivity 115.825
Atoms 46
Rings 4
Heavy atoms 27
Hydrogen atoms 19
Heteroatoms 5
N/O atoms 4
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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