SMILES:
Nc1ccc(Br)c2c1C(=O)NC2=OMolecular Processing
Molecular formula
C8H5BrN2O2
Molecular weight
241.04
Exact mass
239.9534
XLogP
0.91
TPSA
72.19
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
50.35
Supplementary Information
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