SMILES:
COc1ccc(-c2ccc(S(=O)(=O)NC(C(=O)O)C(OCc3ccccc3)C(O)CSc3nccs3)cc2)cc1Molecular Processing
Molecular formula
C28H28N2O7S3
Molecular weight
600.74
Exact mass
600.1059
XLogP
4.29
TPSA
135.05
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
14
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
154.04
Supplementary Information
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