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P-885549729

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Name File
SDF P-885549729.sdf
SMILES P-885549729.smiles
Standard InChI P-885549729.inchi
InChIKey P-885549729.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-885549729 Princeton Biomolecular Research Building Blocks Synthesis 95 by synthesis
Property Value
Components 1
Mass 132.071
logP -1.077
H-bond acceptors 5
H-bond donors 2
Rotatable bonds 2
PSA 87.13
RO5 violations 0
RO3 violations 2
Refractivity 23.8566
Atoms 13
Rings 1
Heavy atoms 9
Hydrogen atoms 4
Heteroatoms 5
N/O atoms 5
Inorganic atoms 0
Halogen atoms 0
Chiral centers 2
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 2
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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