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P-464686236

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Name File
SDF P-464686236.sdf
SMILES P-464686236.smiles
Standard InChI P-464686236.inchi
InChIKey P-464686236.txt
Property Value
Components 1
Mass 249.347
logP 0.5387
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 10
PSA 70.95
RO5 violations 0
RO3 violations 3
Refractivity 67.0933
Atoms 44
Rings 0
Heavy atoms 17
Hydrogen atoms 27
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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