SMILES:
COC(=O)c1cccc(I)c1C(=O)NC(C)(C)CS(C)=OMolecular Processing
Molecular formula
C14H18INO4S
Molecular weight
423.27
Exact mass
423.0001
XLogP
1.96
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
90.98
Supplementary Information
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