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P-492299328

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Name File
SDF P-492299328.sdf
SMILES P-492299328.smiles
Standard InChI P-492299328.inchi
InChIKey P-492299328.txt
Property Value
Components 2
Mass 126.086
logP -1.4928
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 2
PSA 60.36
RO5 violations 0
RO3 violations 1
Refractivity 22.3333
Atoms 15
Rings 0
Heavy atoms 8
Hydrogen atoms 7
Heteroatoms 4
N/O atoms 3
Inorganic atoms 1
Halogen atoms 0
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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