Name: 5-octadecylamino-1,2,3-benzenetricarboxylic acid
SMILES:
CCCCCCCCCCCCCCCCCCNc1cc(C(=O)O)c(C(=O)O)c(C(=O)O)c1Molecular Processing
Molecular formula
C27H43NO6
Molecular weight
477.64
Exact mass
477.309
XLogP
7.45
TPSA
123.93
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
21
Heavy atoms
34
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
0.667
Molar refractivity
135.36
Supplementary Information
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