Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1
Название: (2-amino-1,3-benzothiazol-6-yl) 4-fluorobenzenesulfonate
SMILES: Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

Molecular Processing

Molecular formula
C13H9FN2O3S2
Molecular weight
324.36
Exact mass
324.0039
XLogP
2.79
TPSA
82.28
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0
Molar refractivity
78.25

Supplementary Information

InChIKey: WQYAYHYLDOXVRW-UHFFFAOYSA-N
Синонимы
SCHEMBL4396916WQYAYHYLDOXVRW-UHFFFAOYSA-N4-fluorobenzenesulfonic acid 2-aminobenzothiazol-6-yl ester4-fluoro-benzenesulfonic acid 2-aminobenzothiazol-6-yl ester
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