SMILES:
COc1cc(O)c(-c2cccs2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1Molecular Processing
Molecular formula
C21H16O5S
Molecular weight
380.42
Exact mass
380.0718
XLogP
4.72
TPSA
83.83
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
104.74
Supplementary Information
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