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P-580282268

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Name File
SDF P-580282268.sdf
SMILES P-580282268.smiles
Standard InChI P-580282268.inchi
InChIKey P-580282268.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580282268 Debye Scientific General Catalog N/A by resynthesis (? - ? days)
Property Value
Components 2
Mass 171.622
logP 2.4309
H-bond acceptors 2
H-bond donors 1
Rotatable bonds 0
PSA 21.26
RO5 violations 0
RO3 violations 0
Refractivity 50.0257
Atoms 21
Rings 2
Heavy atoms 11
Hydrogen atoms 10
Heteroatoms 3
N/O atoms 2
Inorganic atoms 0
Halogen atoms 1
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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