Name: 1-iodo-3-hexanol
SMILES:
CCCC(O)CCIMolecular Processing
Molecular formula
C6H13IO
Molecular weight
228.07
Exact mass
228.0011
XLogP
1.97
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
1
Molar refractivity
44.42
Supplementary Information
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