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P-885560606

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Name File
SDF P-885560606.sdf
SMILES P-885560606.smiles
Standard InChI P-885560606.inchi
InChIKey P-885560606.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885560606 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 2
Mass 198.106
logP -1.5349
H-bond acceptors 6
H-bond donors 3
Rotatable bonds 2
PSA 110.05
RO5 violations 0
RO3 violations 2
Refractivity 33.1779
Atoms 20
Rings 1
Heavy atoms 13
Hydrogen atoms 7
Heteroatoms 7
N/O atoms 6
Inorganic atoms 1
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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