SMILES:
O=C1O[C@H]2CCSC2Cn2cccc21Molecular Processing
Molecular formula
C10H11NO2S
Molecular weight
209.27
Exact mass
209.051
XLogP
1.53
TPSA
31.23
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
54.5
Supplementary Information
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