Name: 2-amino-4-(methylsulfonyl)benzoic acid
SMILES:
CS(=O)(=O)c1ccc(C(=O)O)c(N)c1Molecular Processing
Molecular formula
C8H9NO4S
Molecular weight
215.23
Exact mass
215.0252
XLogP
0.37
TPSA
97.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.92
Supplementary Information
Details werden geladen…
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