COC(=O)c1[nH]c2ccsc2c1C
SMILES: COC(=O)c1[nH]c2ccsc2c1C

Molecular Processing

Molecular formula
C9H9NO2S
Molecular weight
195.24
Exact mass
195.0354
XLogP
2.32
TPSA
42.09
H-bond donors
1
H-bond acceptors
3
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
0.222
Molar refractivity
52.25

Supplementary Information

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