CCCCCCCCCCCCCNc1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1
Name: 5-tridecylamino-1,2,3-benzenetricarboxylic acid
SMILES: CCCCCCCCCCCCCNc1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1

Molecular Processing

Molecular formula
C22H33NO6
Molecular weight
407.51
Exact mass
407.2308
XLogP
5.5
TPSA
123.93
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
16
Heavy atoms
29
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.591
Molar refractivity
112.27

Supplementary Information

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