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P-580489538

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Name File
SDF P-580489538.sdf
SMILES P-580489538.smiles
Standard InChI P-580489538.inchi
InChIKey P-580489538.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580489538 Manchester Organics Compounds on demand N/A by synthesis
Property Value
Components 1
Mass 469.534
logP 5.4172
H-bond acceptors 8
H-bond donors 2
Rotatable bonds 10
PSA 98.26
RO5 violations 1
RO3 violations 5
Refractivity 136.7304
Atoms 62
Rings 4
Heavy atoms 35
Hydrogen atoms 27
Heteroatoms 8
N/O atoms 8
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 1
Cis/trans stereo double bonds 0
Unknown stereo double bonds 1
Undefined stereo double bonds 0
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