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P-491223370

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Name File
SDF P-491223370.sdf
SMILES P-491223370.smiles
Standard InChI P-491223370.inchi
InChIKey P-491223370.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-491223370 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 227.217
logP 1.4944
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 5
PSA 89.94
RO5 violations 0
RO3 violations 3
Refractivity 57.949
Atoms 29
Rings 1
Heavy atoms 16
Hydrogen atoms 13
Heteroatoms 7
N/O atoms 7
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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