Name: ethyl 2-cyano-3-(5-methyl-2-pyridylamino)acrylate
SMILES:
CCOC(=O)C(C#N)=CNc1ccc(C)cn1Molecular Processing
Molecular formula
C12H13N3O2
Molecular weight
231.25
Exact mass
231.1008
XLogP
1.77
TPSA
75.01
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
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
0.25
Molar refractivity
62.93
Supplementary Information
Details werden geladen…
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