SMILES:
CC(C(=O)O)c1ccc(C=C2CCSC2=O)cc1Molecular Processing
Molecular formula
C14H14O3S
Molecular weight
262.33
Exact mass
262.0664
XLogP
2.92
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
72.55
Supplementary Information
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