SMILES:
N#CC(Cl)CSCC(N)=OMolecular Processing
Molecular formula
C5H7ClN2OS
Molecular weight
178.64
Exact mass
177.9968
XLogP
0.34
TPSA
66.88
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
10
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
0.6
Molar refractivity
41.77
Supplementary Information
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