SMILES:
CCC(Cc1c(I)cc(I)c(NC(=O)CCl)c1I)C(=O)OMolecular Processing
Molecular formula
C13H13ClI3NO3
Molecular weight
647.42
Exact mass
646.7718
XLogP
4.33
TPSA
66.4
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
109.06
Supplementary Information
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