Name: iodide
SMILES:
CC(C)(C)Cc1ccc(OCCCI)c(Cl)c1Molecular Processing
Molecular formula
C14H20ClIO
Molecular weight
366.67
Exact mass
366.0247
XLogP
5.13
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
83.61
Supplementary Information
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