SMILES:
Cc1ccc(S(=O)(=O)N2CCc3cc(C#CCCCOS(C)(=O)=O)c(F)cc32)cc1Molecular Processing
Molecular formula
C21H22FNO5S2
Molecular weight
451.54
Exact mass
451.0923
XLogP
2.99
TPSA
80.75
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
112.72
Supplementary Information
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