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P-859968110

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Name File
SDF P-859968110.sdf
SMILES P-859968110.smiles
Standard InChI P-859968110.inchi
InChIKey P-859968110.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-859968110 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 431.458
logP 4.9421
H-bond acceptors 6
H-bond donors 2
Rotatable bonds 5
PSA 87.72
RO5 violations 0
RO3 violations 5
Refractivity 120.872
Atoms 54
Rings 4
Heavy atoms 32
Hydrogen atoms 22
Heteroatoms 7
N/O atoms 6
Inorganic atoms 0
Halogen atoms 1
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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