SMILES:
O=C(O)CS(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cc2ccccc2o1Molecular Processing
Molecular formula
C16H12ClNO6S2
Molecular weight
413.86
Exact mass
412.9795
XLogP
3.08
TPSA
113.68
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
97.39
Supplementary Information
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