SMILES:
CC(=O)SCC(C(=O)N[C@@H](CC(=O)O)C(=O)O)C(F)(F)FMolecular Processing
Molecular formula
C10H12F3NO6S
Molecular weight
331.27
Exact mass
331.0337
XLogP
0.49
TPSA
120.77
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
64.5
Supplementary Information
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