SMILES:
O=[N+]([O-])c1cccc(Sc2ccccc2)c1Molecular Processing
Molecular formula
C12H9NO2S
Molecular weight
231.28
Exact mass
231.0354
XLogP
3.75
TPSA
43.14
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
16
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
63.66
Supplementary Information
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