Name: 105b
SMILES:
CCOC(=O)C1(CCCCI)CCC1Molecular Processing
Molecular formula
C11H19IO2
Molecular weight
310.18
Exact mass
310.043
XLogP
3.33
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.909
Molar refractivity
65.66
Supplementary Information
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