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P-580429149

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Name File
SDF P-580429149.sdf
SMILES P-580429149.smiles
Standard InChI P-580429149.inchi
InChIKey P-580429149.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability Updated
P-580429149 Debye Scientific General Catalog 95 by resynthesis (? - ? days) May 31, 2018
Property Value
Components 1
Mass 109.126
logP 1.2173
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 1
PSA 32.86
RO5 violations 0
RO3 violations 0
Refractivity 30.9872
Atoms 15
Rings 1
Heavy atoms 8
Hydrogen atoms 7
Heteroatoms 2
N/O atoms 2
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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