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P-889868600

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Name File
SDF P-889868600.sdf
SMILES P-889868600.smiles
Standard InChI P-889868600.inchi
InChIKey P-889868600.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-889868600 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 697.767
logP 4.8921
H-bond acceptors 13
H-bond donors 6
Rotatable bonds 3
PSA 201.31
RO5 violations 3
RO3 violations 5
Refractivity 190.0308
Atoms 97
Rings 4
Heavy atoms 50
Hydrogen atoms 47
Heteroatoms 13
N/O atoms 13
Inorganic atoms 0
Halogen atoms 0
Chiral centers 9
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 9
Stereo double bonds 3
Cis/trans stereo double bonds 0
Unknown stereo double bonds 3
Undefined stereo double bonds 0
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