SMILES:
CC(C)(C)C(=O)C[n+]1cc[nH]c1CCc1ccccc1.[Br-]Molecular Processing
Molecular formula
C17H23BrN2O
Molecular weight
351.29
Exact mass
350.0994
XLogP
-0.29
TPSA
36.74
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.412
Molar refractivity
79.3
Supplementary Information
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