SMILES:
Cc1nn(C)cc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21Molecular Processing
Molecular formula
C16H14BrN5O
Molecular weight
372.23
Exact mass
371.0382
XLogP
2.68
TPSA
57.64
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
93.02
Supplementary Information
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