Name: 5-octylaminoisophthalic acid disodium salt
SMILES:
CCCCCCCCNc1cc(C(=O)[O-])cc(C(=O)[O-])c1.[Na+].[Na+]Molecular Processing
Molecular formula
C16H21NNa2O4
Molecular weight
337.33
Exact mass
337.1266
XLogP
-4.81
TPSA
92.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.5
Molar refractivity
76.97
Supplementary Information
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