SMILES:
COC(=O)c1c(I)cc(Cl)cc1CBrMolecular Processing
Molecular formula
C9H7BrClIO2
Molecular weight
389.41
Exact mass
387.8363
XLogP
3.63
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
68.14
Supplementary Information
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