الاسم: 3-methyl-2-(3-oxo-3H-benzo[d]isothiazol-2-yl)pentanoic acid
SMILES:
CCC(C)C(C(=O)O)n1sc2ccccc2c1=OMolecular Processing
Molecular formula
C13H15NO3S
Molecular weight
265.33
Exact mass
265.0773
XLogP
2.73
TPSA
59.3
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
72.21
Supplementary Information
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