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P-597048812

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Name File
SDF P-597048812.sdf
SMILES P-597048812.smiles
Standard InChI P-597048812.inchi
InChIKey P-597048812.txt
Property Value
Components 1
Mass 104.108
logP -0.2424
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 2
PSA 89.34
RO5 violations 0
RO3 violations 2
Refractivity 23.7216
Atoms 15
Rings 0
Heavy atoms 7
Hydrogen atoms 8
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
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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