SMILES:
Cc1cc(C)c(S(=O)(=O)NCCCCC(NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c1Molecular Processing
Molecular formula
C30H34N2O6S
Molecular weight
550.68
Exact mass
550.2138
XLogP
5.05
TPSA
121.8
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
149.32
Supplementary Information
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