SMILES:
Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2ccc(F)cc2F)cc(C2CC2)c1=OMolecular Processing
Molecular formula
C22H20F2N2O4S
Molecular weight
446.48
Exact mass
446.1112
XLogP
4.37
TPSA
77.4
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
113.99
Supplementary Information
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