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P-859988479

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Name File
SDF P-859988479.sdf
SMILES P-859988479.smiles
Standard InChI P-859988479.inchi
InChIKey P-859988479.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-859988479 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 117.146
logP 0.5986
H-bond acceptors 3
H-bond donors 1
Rotatable bonds 4
PSA 52.32
RO5 violations 0
RO3 violations 1
Refractivity 30.1414
Atoms 19
Rings 0
Heavy atoms 8
Hydrogen atoms 11
Heteroatoms 3
N/O atoms 3
Inorganic atoms 0
Halogen atoms 0
Chiral centers 0
R/S chiral centers 0
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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