SMILES:
COC(=O)C(C#N)=C(SC)SCMolecular Processing
Molecular formula
C7H9NO2S2
Molecular weight
203.29
Exact mass
203.0075
XLogP
1.62
TPSA
50.09
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
51.69
Supplementary Information
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