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P-580450842

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Name File
SDF P-580450842.sdf
SMILES P-580450842.smiles
Standard InChI P-580450842.inchi
InChIKey P-580450842.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580450842 CliniSciences S.A.S All products 99 in stock
Property Value
Components 3
Mass 800.974
logP 5.2908
H-bond acceptors 12
H-bond donors 8
Rotatable bonds 13
PSA 202.46
RO5 violations 4
RO3 violations 6
Refractivity 231.6748
Atoms 118
Rings 6
Heavy atoms 58
Hydrogen atoms 60
Heteroatoms 12
N/O atoms 12
Inorganic atoms 0
Halogen atoms 0
Chiral centers 4
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 4
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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