SMILES:
Nc1c(-c2ccco2)cc(Br)c2c1C(=O)NC2=OMolecular Processing
Molecular formula
C12H7BrN2O3
Molecular weight
307.1
Exact mass
305.964
XLogP
2.17
TPSA
85.33
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
68.05
Supplementary Information
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