Name: nitro-4-sulfinylbenzoic acid
SMILES:
O=S=C1C=CC(C(=O)O)=C([N+](=O)[O-])C1Molecular Processing
Molecular formula
C7H5NO5S
Molecular weight
215.19
Exact mass
214.9888
XLogP
-0.05
TPSA
97.51
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
48.56
Supplementary Information
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