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P-588799770

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Name File
SDF P-588799770.sdf
SMILES P-588799770.smiles
Standard InChI P-588799770.inchi
InChIKey P-588799770.txt
mcule product ID Supplier Catalog Guaranteed purity (%) Product matching Availability
P-588799770 VITAS M CHEMICAL LIMITED Virtual synthesis library N/A by synthesis
Property Value
Components 1
Mass 240.688
logP 0.3669
H-bond acceptors 5
H-bond donors 0
Rotatable bonds 3
PSA 49.33
RO5 violations 0
RO3 violations 1
Refractivity 68.095
Atoms 29
Rings 2
Heavy atoms 16
Hydrogen atoms 13
Heteroatoms 6
N/O atoms 5
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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