CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(Br)cc2C1
SMILES: CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(Br)cc2C1

Molecular Processing

Molecular formula
C12H16BrNO2S
Molecular weight
318.24
Exact mass
317.0085
XLogP
2.24
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
72.53

Supplementary Information

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