이름: Sodium 3-nitrobenzenesulfonate
SMILES:
O=[N+]([O-])c1cccc(S(=O)(=O)[O-])c1.[Na+]Molecular Processing
Molecular formula
C6H4NNaO5S
Molecular weight
225.16
Exact mass
224.9708
XLogP
-2.5
TPSA
100.34
H-bond donors
0
H-bond acceptors
5
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
8
Covalent units
2
Fraction Csp3
0
Molar refractivity
41.06
Supplementary Information
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