SMILES:
CCC(=O)c1ccc(OCc2ccc(C(O)c3cccc(-c4csc(=O)[nH]4)c3)cc2)c(C)c1OMolecular Processing
Molecular formula
C27H25NO5S
Molecular weight
475.57
Exact mass
475.1453
XLogP
5.37
TPSA
99.62
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.185
Molar refractivity
132.68
Supplementary Information
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