SMILES:
O=C(O)c1ccc(C(=O)N2CC=CC2)c(Br)c1Molecular Processing
Molecular formula
C12H10BrNO3
Molecular weight
296.12
Exact mass
294.9844
XLogP
2.16
TPSA
57.61
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
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
0.167
Molar refractivity
66.14
Supplementary Information
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