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P-863735227

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Name File
SDF P-863735227.sdf
SMILES P-863735227.smiles
Standard InChI P-863735227.inchi
InChIKey P-863735227.txt
Property Value
Components 1
Mass 219.689
logP 2.6188
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 4
PSA 91.56
RO5 violations 0
RO3 violations 2
Refractivity 53.1952
Atoms 23
Rings 1
Heavy atoms 13
Hydrogen atoms 10
Heteroatoms 5
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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