COc1ccc(-c2cccs2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1
SMILES: COc1ccc(-c2cccs2)cc1/C=C/C(=O)c1ccc(C(=O)O)cc1

Molecular Processing

Molecular formula
C21H16O4S
Molecular weight
364.42
Exact mass
364.0769
XLogP
5.02
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
103.07

Supplementary Information

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