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UNKNOWN STEREO

P-580180388

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Name File
SDF P-580180388.sdf
SMILES P-580180388.smiles
Standard InChI P-580180388.inchi
InChIKey P-580180388.txt
Property Value
Components 2
Mass 96.037
logP -1.8829
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 1
PSA 60.36
RO5 violations 0
RO3 violations 1
Refractivity 17.5263
Atoms 12
Rings 0
Heavy atoms 7
Hydrogen atoms 5
Heteroatoms 4
N/O atoms 3
Inorganic atoms 1
Halogen atoms 0
Chiral centers 1
R/S chiral centers 1
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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