SMILES:
Cn1c(Nc2ccc(Br)cc2F)c(C(=O)O)ccc1=OMolecular Processing
Molecular formula
C13H10BrFN2O3
Molecular weight
341.14
Exact mass
339.9859
XLogP
2.73
TPSA
71.33
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
76.03
Supplementary Information
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