SMILES:
CCOc1cc(COS(C)(=O)=O)c(C#N)c(F)c1OCCMolecular Processing
Molecular formula
C13H16FNO5S
Molecular weight
317.34
Exact mass
317.0733
XLogP
1.97
TPSA
85.62
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
73.09
Supplementary Information
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