SMILES:
CC(C)S(=O)(=O)NC(c1cncc(Br)c1)C1CC1Molecular Processing
Molecular formula
C12H17BrN2O2S
Molecular weight
333.25
Exact mass
332.0194
XLogP
2.62
TPSA
59.06
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
74.59
Supplementary Information
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