SMILES:
C#CC1(COC(=O)c2ccccc2)OC(n2cc(C)c(=O)[nH]c2=O)CC1OS(C)(=O)=OMolecular Processing
Molecular formula
C20H20N2O8S
Molecular weight
448.45
Exact mass
448.094
XLogP
0.34
TPSA
133.76
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.35
Molar refractivity
108.8
Supplementary Information
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