SMILES:
Nc1nonc1-c1nc2ccccc2n1CC(=NO)c1ccc(Br)cc1Molecular Processing
Molecular formula
C17H13BrN6O2
Molecular weight
413.24
Exact mass
412.0283
XLogP
3.31
TPSA
115.35
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.059
Molar refractivity
99.9
Supplementary Information
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