SMILES:
N=C(NOC(=O)c1ccccc1)c1nc(Br)cnc1NMolecular Processing
Molecular formula
C12H10BrN5O2
Molecular weight
336.15
Exact mass
335.0018
XLogP
1.51
TPSA
113.98
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
75.97
Supplementary Information
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