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P-885547429

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Name File
SDF P-885547429.sdf
SMILES P-885547429.smiles
Standard InChI P-885547429.inchi
InChIKey P-885547429.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885547429 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 245.706
logP 4.5168
H-bond acceptors 3
H-bond donors 2
Rotatable bonds 0
PSA 64.93
RO5 violations 0
RO3 violations 2
Refractivity 75.0228
Atoms 29
Rings 3
Heavy atoms 17
Hydrogen atoms 12
Heteroatoms 4
N/O atoms 3
Inorganic atoms 0
Halogen atoms 1
Chiral centers 0
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 0
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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