SMILES:
CC(C)(C)OC(=O)N1CCC(c2ccc(S(=O)(=O)c3cccc(F)c3)cc2OCCO)C1Molecular Processing
Molecular formula
C23H28FNO6S
Molecular weight
465.54
Exact mass
465.1621
XLogP
3.75
TPSA
93.14
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.435
Molar refractivity
116.04
Supplementary Information
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