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P-885547684

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Name File
SDF P-885547684.sdf
SMILES P-885547684.smiles
Standard InChI P-885547684.inchi
InChIKey P-885547684.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885547684 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 3
Mass 225.152
logP 0.1504
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 3
PSA 89.21
RO5 violations 0
RO3 violations 2
Refractivity 43.6914
Atoms 24
Rings 1
Heavy atoms 15
Hydrogen atoms 9
Heteroatoms 6
N/O atoms 4
Inorganic atoms 2
Halogen atoms 0
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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