SMILES:
CCOc1cc(S(=O)(=O)Cl)ccc1C#NMolecular Processing
Molecular formula
C9H8ClNO3S
Molecular weight
245.69
Exact mass
244.9913
XLogP
1.88
TPSA
67.16
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
55.36
Supplementary Information
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