SMILES:
O[C@@H]1[C@@H](O)[C@H](Oc2cncc(-c3ccc(F)c(F)c3)c2)SC[C@H]1OMolecular Processing
Molecular formula
C16H15F2NO4S
Molecular weight
355.36
Exact mass
355.069
XLogP
1.56
TPSA
82.81
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.312
Molar refractivity
84.48
Supplementary Information
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