SMILES:
Oc1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1BrMolecular Processing
Molecular formula
C12H6BrClF3NO2
Molecular weight
368.54
Exact mass
366.9223
XLogP
5.01
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
70.13
Supplementary Information
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