Name: 4,6-Dimethyl-1,2-benzisothiazole-3-carboxylic acid
SMILES:
Cc1cc(C)c2c(C(=O)O)nsc2c1Molecular Processing
Molecular formula
C10H9NO2S
Molecular weight
207.25
Exact mass
207.0354
XLogP
2.61
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
56.05
Supplementary Information
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