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P-580741885

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Name File
SDF P-580741885.sdf
SMILES P-580741885.smiles
Standard InChI P-580741885.inchi
InChIKey P-580741885.txt
Property Value
Components 1
Mass 157.210
logP 0.8763
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 2
PSA 38.33
RO5 violations 0
RO3 violations 0
Refractivity 46.4577
Atoms 26
Rings 1
Heavy atoms 11
Hydrogen atoms 15
Heteroatoms 3
N/O atoms 3
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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