SMILES:
OCCCc1cccc(I)c1Molecular Processing
Molecular formula
C9H11IO
Molecular weight
262.09
Exact mass
261.9855
XLogP
2.22
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
11
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
0.333
Molar refractivity
54.57
Supplementary Information
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