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P-580403138

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Name File
SDF P-580403138.sdf
SMILES P-580403138.smiles
Standard InChI P-580403138.inchi
InChIKey P-580403138.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580403138 Debye Scientific General Catalog 95 by resynthesis (? - ? days)
Property Value
Components 2
Mass 322.368
logP 5.9617
H-bond acceptors 1
H-bond donors 0
Rotatable bonds 12
PSA 0.0
RO5 violations 1
RO3 violations 3
Refractivity 91.4394
Atoms 54
Rings 0
Heavy atoms 18
Hydrogen atoms 36
Heteroatoms 2
N/O atoms 1
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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