이름: 1-iodo-3-(2-phenylethoxy)propane
SMILES:
ICCCOCCc1ccccc1Molecular Processing
Molecular formula
C11H15IO
Molecular weight
290.14
Exact mass
290.0168
XLogP
3.07
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
6
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
64.47
Supplementary Information
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