Name: 2,6-di-tert-butylisonicotinic acid
SMILES:
CC(C)(C)c1cc(C(=O)O)cc(C(C)(C)C)n1Molecular Processing
Molecular formula
C14H21NO2
Molecular weight
235.33
Exact mass
235.1572
XLogP
3.37
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
68.6
Supplementary Information
Details werden geladen…
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