SMILES:
Fc1ccc2nc(Nc3ccc(Br)cc3)sc2c1Molecular Processing
Molecular formula
C13H8BrFN2S
Molecular weight
323.19
Exact mass
321.9576
XLogP
4.94
TPSA
24.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
77
Supplementary Information
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