Brc1ccc(I)cc1COc1ccccc1
SMILES: Brc1ccc(I)cc1COc1ccccc1

Molecular Processing

Molecular formula
C13H10BrIO
Molecular weight
389.03
Exact mass
387.896
XLogP
4.63
TPSA
9.23
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
77.63

Supplementary Information

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