SMILES:
CSCc1cccc2c(C(CCOS(C)(=O)=O)c3ccc4c(c3)OC(F)(F)O4)c[nH]c12Molecular Processing
Molecular formula
C21H21F2NO5S2
Molecular weight
469.53
Exact mass
469.0829
XLogP
4.85
TPSA
77.62
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
115.42
Supplementary Information
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