SMILES:
COC(=O)c1csc(I)c1Molecular Processing
Molecular formula
C6H5IO2S
Molecular weight
268.07
Exact mass
267.9055
XLogP
2.14
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
48.38
Supplementary Information
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