SMILES:
Cn1cc(-c2cnc(N)c(Br)c2F)cn1Molecular Processing
Molecular formula
C9H8BrFN4
Molecular weight
271.09
Exact mass
269.9916
XLogP
1.97
TPSA
56.73
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
58.51
Supplementary Information
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