이름: 2-Butyl-4-hydroxy-5-phenylisothiazol-3(2H)-one 1,1-dioxide
SMILES:
CCCCN1C(=O)C(O)=C(c2ccccc2)S1(=O)=OMolecular Processing
Molecular formula
C13H15NO4S
Molecular weight
281.33
Exact mass
281.0722
XLogP
1.89
TPSA
74.68
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
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
0.308
Molar refractivity
71.53
Supplementary Information
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