SMILES:
COCCCCc1cc(I)ncc1OCMolecular Processing
Molecular formula
C11H16INO2
Molecular weight
321.16
Exact mass
321.0226
XLogP
2.66
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
68.32
Supplementary Information
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