SMILES:
FCCNc1nc2ccc(Br)cc2s1Molecular Processing
Molecular formula
C9H8BrFN2S
Molecular weight
275.15
Exact mass
273.9576
XLogP
3.44
TPSA
24.92
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
2
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
61.78
Supplementary Information
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