SMILES:
COC(=O)c1cc2cc(-c3ccco3)ccc2s1Molecular Processing
Molecular formula
C14H10O3S
Molecular weight
258.3
Exact mass
258.0351
XLogP
3.95
TPSA
39.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
70.87
Supplementary Information
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