Name: 5-decylaminoisophthalic acid
SMILES:
CCCCCCCCCCNc1cc(C(=O)O)cc(C(=O)O)c1Molecular Processing
Molecular formula
C18H27NO4
Molecular weight
321.42
Exact mass
321.194
XLogP
4.64
TPSA
86.63
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
23
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
0.556
Molar refractivity
91.46
Supplementary Information
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