Name: 5-octylaminoisophthalic acid
SMILES:
CCCCCCCCNc1cc(C(=O)O)cc(C(=O)O)c1Molecular Processing
Molecular formula
C16H23NO4
Molecular weight
293.36
Exact mass
293.1627
XLogP
3.86
TPSA
86.63
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
10
Heavy atoms
21
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
0.5
Molar refractivity
82.23
Supplementary Information
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