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P-588170631

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Name File
SDF P-588170631.sdf
SMILES P-588170631.smiles
Standard InChI P-588170631.inchi
InChIKey P-588170631.txt
Property Value
Components 2
Mass 241.327
logP 1.2405
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 55.92
RO5 violations 0
RO3 violations 1
Refractivity 57.5152
Atoms 28
Rings 2
Heavy atoms 16
Hydrogen atoms 12
Heteroatoms 4
N/O atoms 3
Inorganic atoms 1
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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