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P-889865685

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Name File
SDF P-889865685.sdf
SMILES P-889865685.smiles
Standard InChI P-889865685.inchi
InChIKey P-889865685.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-889865685 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 188.224
logP 0.7959
H-bond acceptors 5
H-bond donors 3
Rotatable bonds 7
PSA 92.42
RO5 violations 0
RO3 violations 3
Refractivity 48.0509
Atoms 29
Rings 0
Heavy atoms 13
Hydrogen atoms 16
Heteroatoms 5
N/O atoms 5
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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