SMILES:
CCCCCCCC(C)Oc1c(I)cc(I)cc1IMolecular Processing
Molecular formula
C15H21I3O
Molecular weight
598.04
Exact mass
597.8727
XLogP
6.63
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
8
Heavy atoms
19
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
0.6
Molar refractivity
108.06
Supplementary Information
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