SMILES:
Cc1ccc(S(=O)(=O)OCc2ccoc2C2CCN(C(=O)OC(C)(C)C)CC2)cc1Molecular Processing
Molecular formula
C22H29NO6S
Molecular weight
435.54
Exact mass
435.1716
XLogP
4.61
TPSA
86.05
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
30
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
111.64
Supplementary Information
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