SMILES:
COC(=O)c1cc2cc(I)ccc2s1Molecular Processing
Molecular formula
C10H7IO2S
Molecular weight
318.13
Exact mass
317.9211
XLogP
3.29
TPSA
26.3
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
65.88
Supplementary Information
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