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P-885547813

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Name File
SDF P-885547813.sdf
SMILES P-885547813.smiles
Standard InChI P-885547813.inchi
InChIKey P-885547813.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885547813 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 250.118
logP 3.3593
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 4
PSA 63.32
RO5 violations 0
RO3 violations 3
Refractivity 62.2832
Atoms 28
Rings 1
Heavy atoms 15
Hydrogen atoms 13
Heteroatoms 5
N/O atoms 3
Inorganic atoms 0
Halogen atoms 2
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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