SMILES:
COc1cc(OC)c(-c2cccs2)cc1C=CC(=O)c1cccc(C(=O)O)c1Molecular Processing
Molecular formula
C22H18O5S
Molecular weight
394.45
Exact mass
394.0875
XLogP
5.03
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
28
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
0.091
Molar refractivity
109.62
Supplementary Information
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