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P-886928705

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Name File
SDF P-886928705.sdf
SMILES P-886928705.smiles
Standard InChI P-886928705.inchi
InChIKey P-886928705.txt
Property Value
Components 1
Mass 179.215
logP 1.6747
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 52.32
RO5 violations 0
RO3 violations 1
Refractivity 50.2019
Atoms 26
Rings 1
Heavy atoms 13
Hydrogen atoms 13
Heteroatoms 3
N/O atoms 3
Inorganic atoms 0
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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