SMILES:
COC(=O)c1ccc2c(c1)CCC2NS(=O)(=O)C(C)CMolecular Processing
Molecular formula
C14H19NO4S
Molecular weight
297.38
Exact mass
297.1035
XLogP
1.79
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
76.04
Supplementary Information
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