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  1. InChIKey:
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Name File
SDF P-885560559.sdf
SMILES P-885560559.smiles
Standard InChI P-885560559.inchi
InChIKey P-885560559.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885560559 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 77.151
logP 0.5752
H-bond acceptors 1
H-bond donors 1
Rotatable bonds 1
PSA 64.82
RO5 violations 0
RO3 violations 1
Refractivity 22.3644
Atoms 11
Rings 0
Heavy atoms 4
Hydrogen atoms 7
Heteroatoms 2
N/O atoms 1
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 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0