SMILES:
CC(C)C(C(=O)O)c1cc2ccccc2s1Molecular Processing
Molecular formula
C13H14O2S
Molecular weight
234.32
Exact mass
234.0715
XLogP
3.73
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
67.04
Supplementary Information
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