Name: 2-(1-ethyl-propyl)-6-methyl-isonicotinic acid isopropyl ester
SMILES:
CCC(CC)c1cc(C(=O)OC(C)C)cc(C)n1Molecular Processing
Molecular formula
C15H23NO2
Molecular weight
249.35
Exact mass
249.1729
XLogP
3.86
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
18
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
0.6
Molar refractivity
72.85
Supplementary Information
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Involved in 6 reactions→