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P-859986163

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Name File
SDF P-859986163.sdf
SMILES P-859986163.smiles
Standard InChI P-859986163.inchi
InChIKey P-859986163.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-859986163 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 463.526
logP 5.9562
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 5
PSA 87.72
RO5 violations 1
RO3 violations 5
Refractivity 138.42
Atoms 60
Rings 5
Heavy atoms 35
Hydrogen atoms 25
Heteroatoms 6
N/O atoms 6
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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