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P-580394068

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Name File
SDF P-580394068.sdf
SMILES P-580394068.smiles
Standard InChI P-580394068.inchi
InChIKey P-580394068.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580394068 Debye Scientific General Catalog N/A by resynthesis (? - ? days)
Property Value
Components 1
Mass 163.177
logP 1.6878
H-bond acceptors 4
H-bond donors 1
Rotatable bonds 2
PSA 56.98
RO5 violations 0
RO3 violations 1
Refractivity 44.6464
Atoms 21
Rings 2
Heavy atoms 12
Hydrogen atoms 9
Heteroatoms 4
N/O atoms 4
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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