Name: 7-bromo-3-(2-methylsulfonylphenyl)-2H-isoquinolin-1-one
SMILES:
CS(=O)(=O)c1ccccc1-c1cc2ccc(Br)cc2c(=O)[nH]1Molecular Processing
Molecular formula
C16H12BrNO3S
Molecular weight
378.25
Exact mass
376.9721
XLogP
3.36
TPSA
67
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
90.81
Supplementary Information
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Involved in 2 reactions→