Name: 5-bromo-1-methylpyridin-2(1H)-one
SMILES:
Cn1cc(Br)ccc1=OMolecular Processing
Molecular formula
C6H6BrNO
Molecular weight
188.02
Exact mass
186.9633
XLogP
1.15
TPSA
22
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
39.38
Supplementary Information
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