Name: 5-tridecylaminoisophthalic acid
SMILES:
CCCCCCCCCCCCCNc1cc(C(=O)O)cc(C(=O)O)c1Molecular Processing
Molecular formula
C21H33NO4
Molecular weight
363.5
Exact mass
363.241
XLogP
5.81
TPSA
86.63
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
15
Heavy atoms
26
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
105.31
Supplementary Information
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