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P-580450375

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Name File
SDF P-580450375.sdf
SMILES P-580450375.smiles
Standard InChI P-580450375.inchi
InChIKey P-580450375.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-580450375 CliniSciences S.A.S All products 99 in stock
Property Value
Components 1
Mass 248.320
logP 2.2965
H-bond acceptors 4
H-bond donors 3
Rotatable bonds 6
PSA 57.28
RO5 violations 0
RO3 violations 2
Refractivity 72.7892
Atoms 38
Rings 2
Heavy atoms 18
Hydrogen atoms 20
Heteroatoms 4
N/O atoms 4
Inorganic atoms 0
Halogen atoms 0
Chiral centers 1
R/S chiral centers 0
Unknown chiral centers 0
Undefined chiral centers 1
Stereo double bonds 0
Cis/trans stereo double bonds 0
Unknown stereo double bonds 0
Undefined stereo double bonds 0
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