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P-889853028

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Name File
SDF P-889853028.sdf
SMILES P-889853028.smiles
Standard InChI P-889853028.inchi
InChIKey P-889853028.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-889853028 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 831.921
logP 0.857
H-bond acceptors 18
H-bond donors 8
Rotatable bonds 7
PSA 281.48
RO5 violations 3
RO3 violations 5
Refractivity 203.6229
Atoms 126
Rings 3
Heavy atoms 56
Hydrogen atoms 70
Heteroatoms 19
N/O atoms 18
Inorganic atoms 0
Halogen atoms 0
Chiral centers 18
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 18
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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