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P-859962902

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Name File
SDF P-859962902.sdf
SMILES P-859962902.smiles
Standard InChI P-859962902.inchi
InChIKey P-859962902.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-859962902 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 428.307
logP 5.4079
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 3
PSA 69.33
RO5 violations 1
RO3 violations 4
Refractivity 119.4339
Atoms 48
Rings 5
Heavy atoms 29
Hydrogen atoms 19
Heteroatoms 7
N/O atoms 5
Inorganic atoms 0
Halogen atoms 2
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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