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P-885552213

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Name File
SDF P-885552213.sdf
SMILES P-885552213.smiles
Standard InChI P-885552213.inchi
InChIKey P-885552213.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885552213 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 328.074
logP 0.93538
H-bond acceptors 7
H-bond donors 0
Rotatable bonds 6
PSA 77.93
RO5 violations 0
RO3 violations 4
Refractivity 71.6444
Atoms 39
Rings 0
Heavy atoms 22
Hydrogen atoms 17
Heteroatoms 12
N/O atoms 7
Inorganic atoms 0
Halogen atoms 4
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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