COC1CC(C(=O)O)N(C(=O)CCCSC(C)=O)C1
SMILES: COC1CC(C(=O)O)N(C(=O)CCCSC(C)=O)C1

Molecular Processing

Molecular formula
C12H19NO5S
Molecular weight
289.35
Exact mass
289.0984
XLogP
0.75
TPSA
83.91
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
70.92

Supplementary Information

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