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P-889870988

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Name File
SDF P-889870988.sdf
SMILES P-889870988.smiles
Standard InChI P-889870988.inchi
InChIKey P-889870988.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-889870988 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 3
Mass 214.090
logP 1.5761
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 3
PSA 74.93
RO5 violations 0
RO3 violations 2
Refractivity 50.9669
Atoms 25
Rings 1
Heavy atoms 12
Hydrogen atoms 13
Heteroatoms 6
N/O atoms 4
Inorganic atoms 0
Halogen atoms 2
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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