SMILES:
CNCC1COc2c(F)cc(S(C)(=O)=O)cc2O1Molecular Processing
Molecular formula
C11H14FNO4S
Molecular weight
275.3
Exact mass
275.0628
XLogP
0.59
TPSA
64.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
63.35
Supplementary Information
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