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P-612892545

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Name File
SDF P-612892545.sdf
SMILES P-612892545.smiles
Standard InChI P-612892545.inchi
InChIKey P-612892545.txt
Property Value
Components 2
Mass 185.020
logP 0.7157
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 2
PSA 89.34
RO5 violations 0
RO3 violations 2
Refractivity 33.7606
Atoms 17
Rings 0
Heavy atoms 8
Hydrogen atoms 9
Heteroatoms 5
N/O atoms 4
Inorganic atoms 0
Halogen atoms 1
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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