COCC(C)NS(=O)(=O)c1ccc(Br)cc1
SMILES: COCC(C)NS(=O)(=O)c1ccc(Br)cc1

Molecular Processing

Molecular formula
C10H14BrNO3S
Molecular weight
308.2
Exact mass
306.9878
XLogP
1.76
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
65.8

Supplementary Information

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