SMILES:
Cc1cc(O[C@@H]2CCN(S(C)(=O)=O)C2)cc(C)c1BrMolecular Processing
Molecular formula
C13H18BrNO3S
Molecular weight
348.26
Exact mass
347.0191
XLogP
2.48
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.538
Molar refractivity
79.07
Supplementary Information
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