Name: 5-octylamino-1,2,3-benzenetricarboxylic acid trisodium salt
SMILES:
CCCCCCCCNc1cc(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c1.[Na+].[Na+].[Na+]Molecular Processing
Molecular formula
C17H20NNa3O6
Molecular weight
403.32
Exact mass
403.0984
XLogP
-9.44
TPSA
132.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
11
Heavy atoms
27
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
4
Fraction Csp3
0.471
Molar refractivity
81.3
Supplementary Information
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Involved in 1 reactions→