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P-851734031

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Name File
SDF P-851734031.sdf
SMILES P-851734031.smiles
Standard InChI P-851734031.inchi
InChIKey P-851734031.txt
Property Value
Components 2
Mass 227.685
logP 1.8676
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 1
PSA 40.54
RO5 violations 0
RO3 violations 0
Refractivity 64.2288
Atoms 29
Rings 2
Heavy atoms 15
Hydrogen atoms 14
Heteroatoms 4
N/O atoms 3
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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