الاسم: 4-hydroxy-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide
SMILES:
CC(C)N1C(=O)C(O)=C(c2ccccc2)S1(=O)=OMolecular Processing
Molecular formula
C12H13NO4S
Molecular weight
267.31
Exact mass
267.0565
XLogP
1.49
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
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
0.25
Molar refractivity
66.89
Supplementary Information
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