Name: 5-dodecylamino-1,2,3-benzenetricarboxylic acid trisodium salt
SMILES:
CCCCCCCCCCCCNc1cc(C(=O)[O-])c(C(=O)[O-])c(C(=O)[O-])c1.[Na+].[Na+].[Na+]Molecular Processing
Molecular formula
C21H28NNa3O6
Molecular weight
459.43
Exact mass
459.161
XLogP
-7.88
TPSA
132.42
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
15
Heavy atoms
31
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
0.571
Molar refractivity
99.77
Supplementary Information
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Involved in 1 reactions→