الاسم: 4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
SMILES:
O=C1NS(=O)(=O)C(c2ccccc2)=C1OMolecular Processing
Molecular formula
C9H7NO4S
Molecular weight
225.23
Exact mass
225.0096
XLogP
0.37
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
53.05
Supplementary Information
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