SMILES:
CC(C)(C)OC(=O)N1Cc2ccc(Br)cc2C1Molecular Processing
Molecular formula
C13H16BrNO2
Molecular weight
298.18
Exact mass
297.0364
XLogP
3.7
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.62
Supplementary Information
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