SMILES:
CCOC(=O)CC(C#N)SC(C)=OMolecular Processing
Molecular formula
C8H11NO3S
Molecular weight
201.25
Exact mass
201.046
XLogP
1.11
TPSA
67.16
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
13
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
0.625
Molar refractivity
48.92
Supplementary Information
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