Name: iodide
SMILES:
CCCc1cc(CC(C)(C)C)ccc1OCCCIMolecular Processing
Molecular formula
C17H27IO
Molecular weight
374.31
Exact mass
374.1107
XLogP
5.43
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
7
Heavy atoms
19
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
0.647
Molar refractivity
92.6
Supplementary Information
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