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P-580287723

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Name File
SDF P-580287723.sdf
SMILES P-580287723.smiles
Standard InChI P-580287723.inchi
InChIKey P-580287723.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580287723 Debye Scientific General Catalog N/A by resynthesis (? - ? days)
Property Value
Components 1
Mass 118.135
logP 0.1477
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 3
PSA 89.34
RO5 violations 0
RO3 violations 2
Refractivity 28.5286
Atoms 18
Rings 0
Heavy atoms 8
Hydrogen atoms 10
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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