COC(=O)C1CC(SC(C)=O)CN1C
SMILES: COC(=O)C1CC(SC(C)=O)CN1C

Molecular Processing

Molecular formula
C9H15NO3S
Molecular weight
217.29
Exact mass
217.0773
XLogP
0.51
TPSA
46.61
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
55.11

Supplementary Information

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