Name: 5-[3-(4-bromo-phenyl)-3-o-tolyl-propionyl]-1H-pyridin-2-one
SMILES:
Cc1ccccc1C(CC(=O)c1ccc(=O)[nH]c1)c1ccc(Br)cc1Molecular Processing
Molecular formula
C21H18BrNO2
Molecular weight
396.28
Exact mass
395.0521
XLogP
4.85
TPSA
49.93
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
103.17
Supplementary Information
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