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P-491223364

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Name File
SDF P-491223364.sdf
SMILES P-491223364.smiles
Standard InChI P-491223364.inchi
InChIKey P-491223364.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-491223364 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 199.164
logP 1.0352
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 4
PSA 100.94
RO5 violations 0
RO3 violations 3
Refractivity 48.5038
Atoms 23
Rings 1
Heavy atoms 14
Hydrogen atoms 9
Heteroatoms 7
N/O atoms 7
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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