SMILES:
CC(=O)N1CCc2ccc(S(C)(=O)=O)cc2CC1Molecular Processing
Molecular formula
C13H17NO3S
Molecular weight
267.35
Exact mass
267.0929
XLogP
1.04
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
69.21
Supplementary Information
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