SMILES:
COc1ccc(CC(=O)Sc2ccccc2)cc1Molecular Processing
Molecular formula
C15H14O2S
Molecular weight
258.34
Exact mass
258.0715
XLogP
3.56
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
74
Supplementary Information
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