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UNKNOWN STEREO

P-34065497

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Name File
SDF P-34065497.sdf
SMILES P-34065497.smiles
Standard InChI P-34065497.inchi
InChIKey P-34065497.txt
Property Value
Components 1
Mass 174.151
logP -1.5162
H-bond acceptors 5
H-bond donors 4
Rotatable bonds 1
PSA 97.99
RO5 violations 0
RO3 violations 3
Refractivity 38.4322
Atoms 22
Rings 1
Heavy atoms 12
Hydrogen atoms 10
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 3
R/S chiral centers 3
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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