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UNKNOWN STEREO

P-580452395

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  1. InChIKey:
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Name File
SDF P-580452395.sdf
SMILES P-580452395.smiles
Standard InChI P-580452395.inchi
InChIKey P-580452395.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580452395 CliniSciences S.A.S All products 99 in stock
Property Value
Components 2
Mass 218.628
logP 1.9751
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 5
PSA 89.34
RO5 violations 0
RO3 violations 3
Refractivity 45.2476
Atoms 26
Rings 0
Heavy atoms 13
Hydrogen atoms 13
Heteroatoms 7
N/O atoms 4
Inorganic atoms 0
Halogen atoms 3
Chiral centers 1
R/S chiral centers 1
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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