Name: 29
SMILES:
CC(=O)c1c(C)c(I)c2ccccc2c1BrMolecular Processing
Molecular formula
C13H10BrIO
Molecular weight
389.03
Exact mass
387.896
XLogP
4.72
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
1
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
0.154
Molar refractivity
79.11
Supplementary Information
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