SMILES:
COC(=O)c1sccc1C(C)IMolecular Processing
Molecular formula
C8H9IO2S
Molecular weight
296.13
Exact mass
295.9368
XLogP
3.03
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
58.09
Supplementary Information
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