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P-885560414

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Name File
SDF P-885560414.sdf
SMILES P-885560414.smiles
Standard InChI P-885560414.inchi
InChIKey P-885560414.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885560414 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 198.136
logP 1.8044
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 4
PSA 126.44
RO5 violations 0
RO3 violations 3
Refractivity 47.0861
Atoms 20
Rings 1
Heavy atoms 14
Hydrogen atoms 6
Heteroatoms 8
N/O atoms 8
Inorganic atoms 0
Halogen atoms 0
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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