SMILES:
CS(=O)(=O)c1ccccc1-c1cc2ccc(N3CC(CO)OC3=O)cc2c(=O)[nH]1Molecular Processing
Molecular formula
C20H18N2O6S
Molecular weight
414.44
Exact mass
414.0886
XLogP
1.92
TPSA
116.77
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
107.82
Supplementary Information
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