SMILES:
O=C(O)c1cc2cccc(Cl)c2s1Molecular Processing
Molecular formula
C9H5ClO2S
Molecular weight
212.66
Exact mass
211.9699
XLogP
3.25
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
53.79
Supplementary Information
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