SMILES:
CCOC(=O)c1cc(Br)c2ccccn2c1=OMolecular Processing
Molecular formula
C12H10BrNO3
Molecular weight
296.12
Exact mass
294.9844
XLogP
2.24
TPSA
47.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
67.32
Supplementary Information
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