CC(CNC(=O)c1nc(Br)c(C(F)(F)F)nc1N)c1ncc[nH]1
SMILES: CC(CNC(=O)c1nc(Br)c(C(F)(F)F)nc1N)c1ncc[nH]1

Molecular Processing

Molecular formula
C12H12BrF3N6O
Molecular weight
393.17
Exact mass
392.0208
XLogP
2.1
TPSA
109.58
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
78.48

Supplementary Information

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