SMILES:
COC(=O)C(Cl)Cc1ccc(CCOc2ccc(OS(C)(=O)=O)cc2)cc1Molecular Processing
Molecular formula
C19H21ClO6S
Molecular weight
412.89
Exact mass
412.0747
XLogP
2.97
TPSA
78.9
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
27
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
102.92
Supplementary Information
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