SMILES:
C=CCC1(S(=O)(=O)c2ccccc2)CC(=C)COc2ccc(C(=O)OC)cc21Molecular Processing
Molecular formula
C22H22O5S
Molecular weight
398.48
Exact mass
398.1188
XLogP
4.06
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
107.15
Supplementary Information
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