SMILES:
Cc1cc(C(=O)c2cccc(Br)c2)cc2oc(=O)[nH]c12Molecular Processing
Molecular formula
C15H10BrNO3
Molecular weight
332.15
Exact mass
330.9844
XLogP
3.42
TPSA
63.07
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
79.15
Supplementary Information
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