SMILES:
Cn1cc(-c2nnc(N)o2)c(Nc2ccc(Br)cc2F)c(F)c1=OMolecular Processing
Molecular formula
C14H10BrF2N5O2
Molecular weight
398.17
Exact mass
396.9986
XLogP
2.8
TPSA
98.97
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
86.73
Supplementary Information
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