SMILES:
CCOCCCC1(O)c2ccccc2C=Cc2ccc(I)cc21Molecular Processing
Molecular formula
C20H21IO2
Molecular weight
420.29
Exact mass
420.0586
XLogP
4.83
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
103.25
Supplementary Information
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