SMILES:
COC(=O)c1cc2ccsc2[nH]1Molecular Processing
Molecular formula
C8H7NO2S
Molecular weight
181.22
Exact mass
181.0197
XLogP
2.02
TPSA
42.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
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
0.125
Molar refractivity
47.52
Supplementary Information
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