이름: 2-ethyl-4-hydroxy-5-[4-(trifluoromethyl)phenyl]isothiazol-3(2H)-one 1,1-dioxide
SMILES:
CCN1C(=O)C(O)=C(c2ccc(C(F)(F)F)cc2)S1(=O)=OMolecular Processing
Molecular formula
C12H10F3NO4S
Molecular weight
321.28
Exact mass
321.0283
XLogP
2.12
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
67.3
Supplementary Information
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