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P-618679541

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Name File
SDF P-618679541.sdf
SMILES P-618679541.smiles
Standard InChI P-618679541.inchi
InChIKey P-618679541.txt
Property Value
Components 1
Mass 208.642
logP 1.80418
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 52.89
RO5 violations 0
RO3 violations 1
Refractivity 53.5347
Atoms 23
Rings 1
Heavy atoms 14
Hydrogen atoms 9
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
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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