SMILES:
CSCCC(NC(C)=O)C(=O)OMolecular Processing
Molecular formula
C7H13NO3S
Molecular weight
191.25
Exact mass
191.0616
XLogP
0.33
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
48.24
Supplementary Information
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