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P-608492931

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Name File
SDF P-608492931.sdf
SMILES P-608492931.smiles
Standard InChI P-608492931.inchi
InChIKey P-608492931.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-608492931 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 458.619
logP 5.3994
H-bond acceptors 7
H-bond donors 1
Rotatable bonds 9
PSA 103.57
RO5 violations 1
RO3 violations 5
Refractivity 127.8827
Atoms 66
Rings 4
Heavy atoms 32
Hydrogen atoms 34
Heteroatoms 8
N/O atoms 7
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
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