SMILES:
COC(=O)C(C#N)C(=O)c1snc(Cl)c1ClMolecular Processing
Molecular formula
C8H4Cl2N2O3S
Molecular weight
279.1
Exact mass
277.932
XLogP
1.95
TPSA
80.05
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
57.58
Supplementary Information
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