Name: 2-propenyl-6-methylisonicotinic acid ethyl ester
SMILES:
CC=Cc1cc(C(=O)OCC)cc(C)n1Molecular Processing
Molecular formula
C12H15NO2
Molecular weight
205.26
Exact mass
205.1103
XLogP
2.6
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
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
0.333
Molar refractivity
59.64
Supplementary Information
Details werden geladen…
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