CC(C)Cc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2
SMILES: CC(C)Cc1cc(C(=O)O)ccc1OC(C(=O)NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccc2c(c1)OCO2

Molecular Processing

Molecular formula
C29H31NO8S
Molecular weight
553.63
Exact mass
553.177
XLogP
5.06
TPSA
128.23
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
39
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.31
Molar refractivity
143.74

Supplementary Information

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